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ASINEX-ZINC00308561

 MMsINC code: MMs00115468
Type: Neutral
Formula: C11H11ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)n2cc(nc2)C)cc1OC
InChI:   InChI=1/C11H11ClN2O3S/c1-8-6-14(7-13-8)18(15,16)9-3-4-10(12)11(5-9)17-2/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.3661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.739 g/mol  logS: -3.02812  SlogP: 2.09052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137185  Sterimol/B1: 3.1463  Sterimol/B2: 3.70089  Sterimol/B3: 5.28967
  Sterimol/B4: 5.83159  Sterimol/L: 13.2928 
 
 Surface and Volume Properties
  Accessible surface: 472.59  Positive charged surface: 254.69  Negative charged surface: 217.9  Volume: 236.25
  Hydrophobic surface: 379.97  Hydrophilic surface: 92.62
 
 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.