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PUBCHEM-ZINC06252891

 MMsINC code: MMs03640180
Type: Neutral
Formula: C17H14ClNO2S
SMILES:   Clc1ccccc1CNS(=O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C17H14ClNO2S/c18-16-10-4-2-7-14(16)12-19-22(20,21)17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19H,12H2

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Potential Energy
Epot(MMFF94)=40.0171 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: 0.125329  Sterimol/B1: 2.47402  Sterimol/B2: 3.77692  Sterimol/B3: 4.20339
  Sterimol/B4: 7.32687  Sterimol/L: 14.0341 
 
 Surface and Volume Properties
  Accessible surface: 534.042  Positive charged surface: 236.896  Negative charged surface: 287.61  Volume: 292.375
  Hydrophobic surface: 465.37  Hydrophilic surface: 68.672
 
 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.