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ASINEX-ZINC00470465

 MMsINC code: MMs00136428
Type: Neutral
Formula: C11H10ClNO3S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChI:   InChI=1/C11H10ClNO3S2/c1-16-9-4-2-8(3-5-9)13-18(14,15)11-7-6-10(12)17-11/h2-7,13H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.79 g/mol  logS: -4.10766  SlogP: 3.2109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192321  Sterimol/B1: 3.67706  Sterimol/B2: 3.91058  Sterimol/B3: 4.5706
  Sterimol/B4: 5.55519  Sterimol/L: 13.4426 
 
 Surface and Volume Properties
  Accessible surface: 479.914  Positive charged surface: 221.451  Negative charged surface: 258.464  Volume: 242.25
  Hydrophobic surface: 385.888  Hydrophilic surface: 94.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.