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ACROSORGANICS-ZINC00407056

MMsINC code: MMs00007879

Type: Neutral
Formula: C8H9FO
SMILES:   Fc1ccccc1CCO
InChI:   InChI=1/C8H9FO/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)=23.4273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.157 g/mol  logS: -1.51235  SlogP: 1.36047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908534  Sterimol/B1: 2.48927  Sterimol/B2: 2.5155  Sterimol/B3: 3.06636
  Sterimol/B4: 4.98546  Sterimol/L: 10.8148 
 
 Surface and Volume Properties
  Accessible surface: 324.151  Positive charged surface: 194.028  Negative charged surface: 130.122  Volume: 137.625
  Hydrophobic surface: 270.009  Hydrophilic surface: 54.142
 
 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.