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ASINEX-ZINC00811974

 MMsINC code: MMs00175788
Type: Neutral
Formula: C10H7ClFNO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2cc(F)ccc2)cc1
InChI:   InChI=1/C10H7ClFNO2S2/c11-9-4-5-10(16-9)17(14,15)13-8-3-1-2-7(12)6-8/h1-6,13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.754 g/mol  logS: -4.35226  SlogP: 3.3414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.279023  Sterimol/B1: 2.72537  Sterimol/B2: 3.31906  Sterimol/B3: 5.10254
  Sterimol/B4: 5.96289  Sterimol/L: 11.915 
 
 Surface and Volume Properties
  Accessible surface: 441.123  Positive charged surface: 146.818  Negative charged surface: 294.305  Volume: 217.625
  Hydrophobic surface: 358.026  Hydrophilic surface: 83.097
 
 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.