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NCID-ZINC01564086

 MMsINC code: MMs02225784
Type: Neutral
Formula: C20H18O
SMILES:   O=C/1/C(/C\C\1=C/c1ccc(cc1)C)=C\c1ccc(cc1)C
InChI:   InChI=1/C20H18O/c1-14-3-7-16(8-4-14)11-18-13-19(20(18)21)12-17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3/b18-11-,19-12-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.363 g/mol  logS: -5.46711  SlogP: 4.74324  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0219512  Sterimol/B1: 2.14139  Sterimol/B2: 2.51405  Sterimol/B3: 3.42812
  Sterimol/B4: 8.59528  Sterimol/L: 14.8533 
 
 Surface and Volume Properties
  Accessible surface: 537.78  Positive charged surface: 272.439  Negative charged surface: 225.008  Volume: 288.5
  Hydrophobic surface: 490.995  Hydrophilic surface: 46.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.