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NCID-ZINC01576755

 MMsINC code: MMs02235268
Type: Neutral
Formula: C14H10ClNO2S2
SMILES:   Clc1ccc(cc1)CS(=O)(=O)c1sc2c(n1)cccc2
InChI:   InChI=1/C14H10ClNO2S2/c15-11-7-5-10(6-8-11)9-20(17,18)14-16-12-3-1-2-4-13(12)19-14/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=71.5747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.824 g/mol  logS: -5.31461  SlogP: 4.19  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237499  Sterimol/B1: 2.39206  Sterimol/B2: 2.99038  Sterimol/B3: 3.77138
  Sterimol/B4: 4.90458  Sterimol/L: 17.6517 
 
 Surface and Volume Properties
  Accessible surface: 522.886  Positive charged surface: 212.531  Negative charged surface: 310.355  Volume: 265.875
  Hydrophobic surface: 443.513  Hydrophilic surface: 79.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.