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ACROSORGANICS-ZINC00388375

 MMsINC code: MMs00006982
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1ccc(cc1O)C
InChI:   InChI=1/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -2.23114  SlogP: 2.35402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340926  Sterimol/B1: 2.12633  Sterimol/B2: 2.50091  Sterimol/B3: 3.19964
  Sterimol/B4: 4.46867  Sterimol/L: 9.91823 
 
 Surface and Volume Properties
  Accessible surface: 313.298  Positive charged surface: 151.554  Negative charged surface: 161.745  Volume: 129.875
  Hydrophobic surface: 267.315  Hydrophilic surface: 45.983
 
 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.