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PUBCHEM-ZINC00895820

 MMsINC code: MMs02741689
Type: Neutral
Formula: C6H5ClO2
SMILES:   Clc1cccc(O)c1O
InChI:   InChI=1/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.557 g/mol  logS: -1.39527  SlogP: 1.7512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231424  Sterimol/B1: 2.1  Sterimol/B2: 2.35272  Sterimol/B3: 3.19324
  Sterimol/B4: 5.91547  Sterimol/L: 7.88124 
 
 Surface and Volume Properties
  Accessible surface: 297.667  Positive charged surface: 138.965  Negative charged surface: 158.701  Volume: 119.75
  Hydrophobic surface: 205.229  Hydrophilic surface: 92.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.