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PUBCHEM-ZINC05378121

 MMsINC code: MMs03251172
Type: Neutral
Formula: C10H13FO
SMILES:   Fc1c(C)c(C)c(O)c(C)c1C
InChI:   InChI=1/C10H13FO/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.211 g/mol  logS: -1.95979  SlogP: 2.76498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544403  Sterimol/B1: 2.5045  Sterimol/B2: 2.51832  Sterimol/B3: 3.07839
  Sterimol/B4: 5.67075  Sterimol/L: 9.50173 
 
 Surface and Volume Properties
  Accessible surface: 355.932  Positive charged surface: 222.841  Negative charged surface: 133.091  Volume: 171.125
  Hydrophobic surface: 319.879  Hydrophilic surface: 36.053
 
 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.