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PUBCHEM-ZINC06069281

MMsINC code: MMs03522185

Type: Neutral
Formula: C20H17FO2
SMILES:   FC1=CC(O)C(O)c2c1c(c1c(ccc3c1cccc3)c2C)C
InChI:   InChI=1/C20H17FO2/c1-10-13-8-7-12-5-3-4-6-14(12)17(13)11(2)18-15(21)9-16(22)20(23)19(10)18/h3-9,16,20,22-23H,1-2H3/t16-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=115.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.352 g/mol  logS: -6.67442  SlogP: 4.42364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613154  Sterimol/B1: 2.11026  Sterimol/B2: 3.12942  Sterimol/B3: 4.03155
  Sterimol/B4: 7.62289  Sterimol/L: 14.3327 
 
 Surface and Volume Properties
  Accessible surface: 500.713  Positive charged surface: 287.692  Negative charged surface: 197.852  Volume: 290.375
  Hydrophobic surface: 401.941  Hydrophilic surface: 98.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.