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KEYORGANICS-ZINC04090590

 MMsINC code: MMs02122172
Type: Neutral
Formula: C14H9ClN2O2S2
SMILES:   Clc1ccccc1S(=O)(=O)c1snnc1-c1ccccc1
InChI:   InChI=1/C14H9ClN2O2S2/c15-11-8-4-5-9-12(11)21(18,19)14-13(16-17-20-14)10-6-2-1-3-7-10/h1-9H

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Potential Energy
Epot(MMFF94)=69.6858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.823 g/mol  logS: -5.48443  SlogP: 3.6913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22469  Sterimol/B1: 3.16836  Sterimol/B2: 3.89406  Sterimol/B3: 4.00316
  Sterimol/B4: 7.4915  Sterimol/L: 11.7022 
 
 Surface and Volume Properties
  Accessible surface: 476.039  Positive charged surface: 219.917  Negative charged surface: 256.122  Volume: 269.5
  Hydrophobic surface: 387.15  Hydrophilic surface: 88.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.