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PUBCHEM-ZINC06691204

 MMsINC code: MMs03838701
Type: Neutral
Formula: C25H24O
SMILES:   O=C/1/C(/CC\C\1=C\C(=C\c1ccccc1)\C)=C/C(=C/c1ccccc1)/C
InChI:   InChI=1/C25H24O/c1-19(15-21-9-5-3-6-10-21)17-23-13-14-24(25(23)26)18-20(2)16-22-11-7-4-8-12-22/h3-12,15-18H,13-14H2,1-2H3/b19-15-,20-16-,23-17+,24-18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.466 g/mol  logS: -7.32743  SlogP: 6.4091  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0452795  Sterimol/B1: 2.20381  Sterimol/B2: 3.51522  Sterimol/B3: 3.52822
  Sterimol/B4: 9.00885  Sterimol/L: 15.6619 
 
 Surface and Volume Properties
  Accessible surface: 612.273  Positive charged surface: 341.459  Negative charged surface: 270.815  Volume: 365.5
  Hydrophobic surface: 583.058  Hydrophilic surface: 29.215
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.