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ACROSORGANICS-ZINC00388395

 MMsINC code: MMs00006989
Type: Neutral
Formula: C7H7FO
SMILES:   Fc1cc(ccc1)CO
InChI:   InChI=1/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.13 g/mol  logS: -1.45088  SlogP: 1.5844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556928  Sterimol/B1: 2.37073  Sterimol/B2: 2.43117  Sterimol/B3: 2.73676
  Sterimol/B4: 5.04722  Sterimol/L: 9.6883 
 
 Surface and Volume Properties
  Accessible surface: 298.228  Positive charged surface: 167.647  Negative charged surface: 130.581  Volume: 119.875
  Hydrophobic surface: 234.447  Hydrophilic surface: 63.781
 
 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.