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PUBCHEM-ZINC06095225

 MMsINC code: MMs03541286
Type: Neutral
Formula: C7H5ClO3
SMILES:   ClOC(=O)c1ccccc1O
InChI:   InChI=1/C7H5ClO3/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4,9H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.1235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.567 g/mol  logS: -2.28186  SlogP: 1.7028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00846792  Sterimol/B1: 2.097  Sterimol/B2: 2.27047  Sterimol/B3: 2.46076
  Sterimol/B4: 5.5279  Sterimol/L: 11.2138 
 
 Surface and Volume Properties
  Accessible surface: 330.359  Positive charged surface: 132.507  Negative charged surface: 197.852  Volume: 141.875
  Hydrophobic surface: 254.692  Hydrophilic surface: 75.667
 
 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.