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Compound 101
  CheckMol                        TMF02:r0:m0
MF=C19H18N4O2S MW=366.44
 26 29  0  5  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5108   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.7318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2866   -0.7318   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -2.2072   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6912   -0.1062   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5731    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9509   -2.5023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7063   -1.2040   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5613    1.5344   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.7082   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7181   -3.7889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2171   -1.1921   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8479    2.2899   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1463    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8479   -2.1954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2289   -3.7771   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9843   -2.4787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1345    1.5581   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4329   -0.6964   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4952   -2.4669   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.4211   -2.1836   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3922   -1.2394   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.3922   -3.6709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.8323   -1.6879   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.8323   -3.1987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  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 01  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17 02  0  1  0  0
 13 18 02  0  1  0  0
 14 19 02  0  1  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23 01  0  1  0  0
 21 24 01  0  1  0  0
 23 25 02  0  1  0  0
 24 26 02  0  1  0  0
  8  9 02  0  2  0  0
 15 19 01  0  1  0  0
 17 18 01  0  1  0  0
 25 26 01  0  1  0  0
M  END

Ilaprazole

₹ 0.00 0.00

Chemical Name - Ilaprazole
Mol Weight - 366.444
Smiles - Cc(c(CS(c1nc(ccc(-n2cccc2)c2)c2[nH]1)=O)ncc1)c1OC

Property Name	Property Value
Mol Name	Ilaprazole
Molweight	366.444
Monoisotopic Mass	366.115046
Clogp	2.003
Clogs	-4.672
H Acceptors	6
H Donors	1
Total Surface Area	274.67
Relative Psa	0.27495
Polar Surface Area	92.01
Druglikeness	-0.69085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57692
Molecular Flexibility	0.41362
Molecular Complexity	0.83016
Fragments	1
Non H Atoms	26
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3 Atoms	5
Symmetric Atoms	2
Aromatic Nitrogens	4
Basic Nitrogens	1
Smiles	Cc(c(CS(c1nc(ccc(-n2cccc2)c2)c2[nH]1)=O)ncc1)c1OC
InChIKey	InChI=1S/C19H20N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12,26H2,1-2H3,(H,21,22)
InChI	CNFRSSLXMASRJT-UHFFFAOYSA-N

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Ilaprazole