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PUBCHEM-ZINC06069269

 MMsINC code: MMs03522174
Type: Neutral
Formula: C20H17FO2
SMILES:   Fc1cc2c3c(ccc2cc1)c(c1c(C=CC(O)C1O)c3C)C
InChI:   InChI=1/C20H17FO2/c1-10-15-7-8-17(22)20(23)19(15)11(2)14-6-4-12-3-5-13(21)9-16(12)18(10)14/h3-9,17,20,22-23H,1-2H3/t17-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.352 g/mol  logS: -6.58016  SlogP: 4.26554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625558  Sterimol/B1: 2.18684  Sterimol/B2: 3.19396  Sterimol/B3: 4.01882
  Sterimol/B4: 7.58345  Sterimol/L: 14.3662 
 
 Surface and Volume Properties
  Accessible surface: 506.305  Positive charged surface: 278.752  Negative charged surface: 208.742  Volume: 289.875
  Hydrophobic surface: 406.557  Hydrophilic surface: 99.748
 
 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.