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ACROSORGANICS-ZINC00406965

MMsINC code: MMs00007842

Type: Neutral
Formula: C8H9ClO
SMILES:   Clc1ccccc1CCO
InChI:   InChI=1/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=28.0739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.612 g/mol  logS: -1.95166  SlogP: 1.87477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913795  Sterimol/B1: 2.49641  Sterimol/B2: 2.52486  Sterimol/B3: 3.03705
  Sterimol/B4: 5.84956  Sterimol/L: 10.8139 
 
 Surface and Volume Properties
  Accessible surface: 337.3  Positive charged surface: 180.451  Negative charged surface: 156.849  Volume: 149.625
  Hydrophobic surface: 282.98  Hydrophilic surface: 54.32
 
 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.