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PUBCHEM-ZINC06094519

 MMsINC code: MMs03540649
Type: Neutral
Formula: C20H12O
SMILES:   Oc1c2c(c3c(c4C=Cc5c4c(c3)ccc5)cc2)ccc1
InChI:   InChI=1/C20H12O/c21-19-6-2-5-14-16(19)10-9-15-17-8-7-12-3-1-4-13(20(12)17)11-18(14)15/h1-11,21H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.315 g/mol  logS: -7.25835  SlogP: 5.3356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00185173  Sterimol/B1: 2.097  Sterimol/B2: 2.2265  Sterimol/B3: 2.88897
  Sterimol/B4: 6.76926  Sterimol/L: 14.2828 
 
 Surface and Volume Properties
  Accessible surface: 475.769  Positive charged surface: 232.191  Negative charged surface: 210.615  Volume: 263.375
  Hydrophobic surface: 431.137  Hydrophilic surface: 44.632
 
 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.