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PUBCHEM-ZINC00896615

 MMsINC code: MMs02741770
Type: Neutral
Formula: C6H5ClO3
SMILES:   Clc1cc(O)c(O)cc1O
InChI:   InChI=1/C6H5ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,8-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.556 g/mol  logS: -1.03332  SlogP: 1.4568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237912  Sterimol/B1: 2.3228  Sterimol/B2: 2.32409  Sterimol/B3: 2.54639
  Sterimol/B4: 5.43919  Sterimol/L: 8.75297 
 
 Surface and Volume Properties
  Accessible surface: 311.899  Positive charged surface: 155.253  Negative charged surface: 156.646  Volume: 127.25
  Hydrophobic surface: 167.27  Hydrophilic surface: 144.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.