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ACROSORGANICS-ZINC00388374

 MMsINC code: MMs00006981
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1ccc(OC)cc1
InChI:   InChI=1/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.3814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -2.16955  SlogP: 2.3486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214565  Sterimol/B1: 2.37413  Sterimol/B2: 2.37499  Sterimol/B3: 3.88112
  Sterimol/B4: 3.94492  Sterimol/L: 11.0467 
 
 Surface and Volume Properties
  Accessible surface: 317.715  Positive charged surface: 170.928  Negative charged surface: 146.787  Volume: 132.75
  Hydrophobic surface: 307.323  Hydrophilic surface: 10.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.