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ASINEX-ZINC00811978

 MMsINC code: MMs00175790
Type: Neutral
Formula: C10H6Cl2FNO2S2
SMILES:   Clc1cc(NS(=O)(=O)c2sc(Cl)cc2)ccc1F
InChI:   InChI=1/C10H6Cl2FNO2S2/c11-7-5-6(1-2-8(7)13)14-18(15,16)10-4-3-9(12)17-10/h1-5,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.199 g/mol  logS: -5.08655  SlogP: 3.9948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288084  Sterimol/B1: 2.47862  Sterimol/B2: 4.49453  Sterimol/B3: 4.80178
  Sterimol/B4: 6.18468  Sterimol/L: 12.116 
 
 Surface and Volume Properties
  Accessible surface: 465.858  Positive charged surface: 131.045  Negative charged surface: 334.812  Volume: 235
  Hydrophobic surface: 382.685  Hydrophilic surface: 83.173
 
 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.