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PUBCHEM-ZINC06094701

 MMsINC code: MMs03540793
Type: Neutral
Formula: C20H13FO2
SMILES:   FC1=Cc2c(cc3c4c5c(ccc24)cccc5cc3)C(O)C1O
InChI:   InChI=1/C20H13FO2/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-9,19-20,22-23H/t19-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.4169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.32 g/mol  logS: -7.05596  SlogP: 4.5067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233884  Sterimol/B1: 3.09607  Sterimol/B2: 3.35727  Sterimol/B3: 4.37896
  Sterimol/B4: 5.68442  Sterimol/L: 14.8761 
 
 Surface and Volume Properties
  Accessible surface: 492.186  Positive charged surface: 244.464  Negative charged surface: 214.508  Volume: 276
  Hydrophobic surface: 406.211  Hydrophilic surface: 85.975
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.