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ASINEX-ZINC00318758

 MMsINC code: MMs00117710
Type: Neutral
Formula: C17H14ClNO2S
SMILES:   Clc1ccccc1CNS(=O)(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C17H14ClNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2

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Potential Energy
Epot(MMFF94)=34.2125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.823 g/mol  logS: -5.60293  SlogP: 4.2381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100146  Sterimol/B1: 3.52836  Sterimol/B2: 3.76319  Sterimol/B3: 4.46154
  Sterimol/B4: 6.1613  Sterimol/L: 15.9652 
 
 Surface and Volume Properties
  Accessible surface: 545.087  Positive charged surface: 239.771  Negative charged surface: 294.245  Volume: 293.875
  Hydrophobic surface: 469.784  Hydrophilic surface: 75.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.