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PUBCHEM-ZINC01998875

 MMsINC code: MMs02841364
Type: Neutral
Formula: C10H6Cl2O
SMILES:   Clc1c2c(cc(Cl)cc2)ccc1O
InChI:   InChI=1/C10H6Cl2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.063 g/mol  logS: -4.36939  SlogP: 3.8522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00597814  Sterimol/B1: 2.17625  Sterimol/B2: 2.20775  Sterimol/B3: 2.55123
  Sterimol/B4: 6.5057  Sterimol/L: 11.692 
 
 Surface and Volume Properties
  Accessible surface: 371.707  Positive charged surface: 133.129  Negative charged surface: 227.506  Volume: 177
  Hydrophobic surface: 325.186  Hydrophilic surface: 46.521
 
 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.