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ASINEX-ZINC02970862

 MMsINC code: MMs00282475
Type: Neutral
Formula: C11H10ClNO2S2
SMILES:   Clc1cc(NS(=O)(=O)c2sccc2)ccc1C
InChI:   InChI=1/C11H10ClNO2S2/c1-8-4-5-9(7-10(8)12)13-17(14,15)11-3-2-6-16-11/h2-7,13H,1H3

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Potential Energy
Epot(MMFF94)=40.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.791 g/mol  logS: -3.90649  SlogP: 3.51072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213795  Sterimol/B1: 3.43867  Sterimol/B2: 3.93416  Sterimol/B3: 4.63395
  Sterimol/B4: 5.61029  Sterimol/L: 12.1784 
 
 Surface and Volume Properties
  Accessible surface: 456.494  Positive charged surface: 180.733  Negative charged surface: 275.761  Volume: 236.125
  Hydrophobic surface: 373.168  Hydrophilic surface: 83.326
 
 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.