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PUBCHEM-ZINC04655184

 MMsINC code: MMs03147551
Type: Neutral
Formula: C20H12O
SMILES:   Oc1c2c3c4c(c1)cccc4ccc3cc1c2cccc1
InChI:   InChI=1/C20H12O/c21-17-11-14-6-3-5-12-8-9-15-10-13-4-1-2-7-16(13)20(17)19(15)18(12)14/h1-11,21H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.315 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: 0.00218487  Sterimol/B1: 2.13397  Sterimol/B2: 2.17161  Sterimol/B3: 4.88969
  Sterimol/B4: 5.29319  Sterimol/L: 14.1835 
 
 Surface and Volume Properties
  Accessible surface: 467.186  Positive charged surface: 218.206  Negative charged surface: 204.695  Volume: 261.625
  Hydrophobic surface: 431.797  Hydrophilic surface: 35.389
 
 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.