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PUBCHEM-ZINC02509691

 MMsINC code: MMs02890849
Type: Neutral
Formula: C8H9FO
SMILES:   Fc1cc(C)c(cc1)CO
InChI:   InChI=1/C8H9FO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.157 g/mol  logS: -1.9248  SlogP: 1.89282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461708  Sterimol/B1: 2.22505  Sterimol/B2: 2.37978  Sterimol/B3: 2.51208
  Sterimol/B4: 6.20372  Sterimol/L: 9.9079 
 
 Surface and Volume Properties
  Accessible surface: 317.669  Positive charged surface: 184.845  Negative charged surface: 132.824  Volume: 137.375
  Hydrophobic surface: 264.135  Hydrophilic surface: 53.534
 
 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.