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ACROSORGANICS-ZINC00001885

 MMsINC code: MMs00002658
Type: Neutral
Formula: C6H5ClO
SMILES:   Clc1ccc(O)cc1
InChI:   InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.5957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.558 g/mol  logS: -1.75722  SlogP: 2.0456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141217  Sterimol/B1: 2.14546  Sterimol/B2: 2.30154  Sterimol/B3: 2.42062
  Sterimol/B4: 4.82284  Sterimol/L: 9.67093 
 
 Surface and Volume Properties
  Accessible surface: 285.709  Positive charged surface: 125.936  Negative charged surface: 159.773  Volume: 113.5
  Hydrophobic surface: 233.989  Hydrophilic surface: 51.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.