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NCID-ZINC04100579

 MMsINC code: MMs02382826
Type: Neutral
Formula: C20H14O2
SMILES:   OC1(c2c(cccc2)C(=O)c2c1cccc2)c1ccccc1
InChI:   InChI=1/C20H14O2/c21-19-15-10-4-6-12-17(15)20(22,14-8-2-1-3-9-14)18-13-7-5-11-16(18)19/h1-13,22H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.33 g/mol  logS: -5.11901  SlogP: 3.8267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.292853  Sterimol/B1: 2.38812  Sterimol/B2: 2.86328  Sterimol/B3: 5.35251
  Sterimol/B4: 8.89754  Sterimol/L: 12.3266 
 
 Surface and Volume Properties
  Accessible surface: 489.014  Positive charged surface: 244.333  Negative charged surface: 244.68  Volume: 277.5
  Hydrophobic surface: 433.454  Hydrophilic surface: 55.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.