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PUBCHEM-ZINC04655185

 MMsINC code: MMs03147552
Type: Neutral
Formula: C20H12O
SMILES:   Oc1c2c3c4c5c(cc3)cccc5ccc4cc2ccc1
InChI:   InChI=1/C20H12O/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-11,21H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.315 g/mol  logS: -7.98595  SlogP: 5.4428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00216116  Sterimol/B1: 2.1469  Sterimol/B2: 2.1603  Sterimol/B3: 4.18428
  Sterimol/B4: 6.00857  Sterimol/L: 14.1566 
 
 Surface and Volume Properties
  Accessible surface: 465.768  Positive charged surface: 219.132  Negative charged surface: 202.352  Volume: 261.875
  Hydrophobic surface: 430.553  Hydrophilic surface: 35.215
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.