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PUBCHEM-ZINC06095049

 MMsINC code: MMs03541121
Type: Neutral
Formula: C8H5ClO
SMILES:   Clc1c2occc2ccc1
InChI:   InChI=1/C8H5ClO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.58 g/mol  logS: -3.5645  SlogP: 3.0862  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.58223e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09896  Sterimol/B3: 3.03259
  Sterimol/B4: 6.01405  Sterimol/L: 9.5958 
 
 Surface and Volume Properties
  Accessible surface: 315.957  Positive charged surface: 119.514  Negative charged surface: 189.784  Volume: 135.875
  Hydrophobic surface: 306.04  Hydrophilic surface: 9.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.