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Compound 148
  CheckMol                        TMF02:r0:m0
MF=C32H39NO2 MW=469.67
 35 38  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5089   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731    2.2633   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3202    2.2633   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613    3.7721   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5580    1.5206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6287    1.5324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    4.5266   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8429    2.2751   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9372    2.2869   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    3.7957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2456    1.5560   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    4.5501   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5541    2.3222   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2574    0.0707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3615    5.8586   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    5.3046   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    3.2652   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8625    1.5914   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5659   -0.6601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8743    0.1061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1828   -0.6248   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4912    0.1415   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5030    1.6503   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7997   -0.5894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2181    2.4047   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.8115    2.4165   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.1081    0.1650   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.8115   -2.0747   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2299    3.9136   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.8233    3.9254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.4166   -0.5658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.1199   -2.8055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5384    4.6798   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.4284   -2.0511   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  1  0  0
 12 15  1  0  1  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  1  0  0
 15 20  1  0  1  0  0
 19 21  1  0  1  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26 02  0  1  0  0
 24 27 01  0  1  0  0
 25 28 02  0  1  0  0
 25 29 01  0  1  0  0
 26 30 01  0  1  0  0
 27 31 02  0  1  0  0
 28 32 01  0  1  0  0
 29 33 02  0  1  0  0
 30 34 02  0  1  0  0
 32 35 02  0  1  0  0
  9 11 01  0  1  0  0
 20 21  1  0  1  0  0
 31 34 01  0  1  0  0
 33 35 01  0  1  0  0
M  END

Ebastine

₹ 0.00 0.00

Chemical Name - Ebastine
Mol Weight - 469.667
Smiles - CC(C)(C)c(cc1)ccc1C(CCCN(CC1)CCC1OC(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	Ebastine
Molweight	469.667
Monoisotopic Mass	469.298079
Clogp	7.1577
Clogs	-6.391
H Acceptors	3
Total Surface Area	385.84
Relative Psa	0.068915
Polar Surface Area	29.54
Druglikeness	2.0153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.43363
Molecular Complexity	0.70595
Fragments	1
Non H Atoms	35
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	15
Symmetric Atoms	14
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(C)(C)c(cc1)ccc1C(CCCN(CC1)CCC1OC(c1ccccc1)c1ccccc1)=O
InChIKey	InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChI	MJJALKDDGIKVBE-UHFFFAOYSA-N

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Ebastine