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Compound 146
  CheckMol                        TMF02:r0:m0
MF=C28H29F2N3O MW=461.56
 34 38  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -0.7326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6233    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3234   -2.2215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9349   -0.7090   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6351   -2.9659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9467   -2.1979   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2583   -2.9305   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2702   -4.4194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5700   -2.1742   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5818   -5.1520   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9822   -5.1638   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8816   -2.9069   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5936   -6.6409   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9940   -6.6527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1932   -2.1506   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3056   -7.3853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5049   -2.8832   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3174   -8.8742   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8165   -2.1152   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167   -4.3721   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1281   -2.8478   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8283   -5.1047   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1399   -4.3367   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4516   -5.0693   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -15.8341   -4.4430   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.6170   -6.5463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -16.1531   -2.9659   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8503   -5.5419   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -16.0941   -6.8417   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.6244   -7.6453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -16.5667   -8.2597   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.0971   -9.0632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.5741   -9.3587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11 02  0  1  0  0
  9 12 01  0  1  0  0
 10 13  1  0  0  0  0
 11 14 01  0  1  0  0
 12 15 02  0  1  0  0
 13 16  1  0  0  0  0
 14 17 02  0  1  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  1  0  0
 18 21  1  0  1  0  0
 20 22  1  0  1  0  0
 21 23  1  0  1  0  0
 22 24  1  0  1  0  0
 24 25  1  0  0  0  0
 25 26 01  0  1  0  0
 25 27 01  0  1  0  0
 26 28  2  0  0  0  0
 26 29 01  0  1  0  0
 27 30 02  0  2  0  0
 27 31 01  0  1  0  0
 30 32 01  0  1  0  0
 31 33 02  0  1  0  0
 32 34 02  0  1  0  0
  6  7 01  0  1  0  0
 15 17 01  0  1  0  0
 23 24  1  0  1  0  0
 29 30 01  0  1  0  0
 33 34 01  0  1  0  0
M  END

Pimozide

₹ 0.00 0.00

Chemical Name - Pimozide
Mol Weight - 461.554
Smiles - O=C1N(C2CCN(CCCC(c(cc3)ccc3F)c(cc3)ccc3F)CC2)c(cccc2)c2N1

Property Name	Property Value
Mol Name	Pimozide
Molweight	461.554
Monoisotopic Mass	461.227868
Clogp	5.8969
Clogs	-6.473
H Acceptors	4
H Donors	1
Total Surface Area	349.61
Relative Psa	0.090386
Polar Surface Area	35.58
Druglikeness	6.3642
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.40825
Molecular Complexity	0.85413
Fragments	1
Non H Atoms	34
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	10
Symmetric Atoms	11
Amides	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	O=C1N(C2CCN(CCCC(c(cc3)ccc3F)c(cc3)ccc3F)CC2)c(cccc2)c2N1
InChIKey	InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChI	YVUQSNJEYSNKRX-UHFFFAOYSA-N

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Pimozide