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PUBCHEM-ZINC04582713

 MMsINC code: MMs03137514
Type: Neutral
Formula: C23H26O
SMILES:   O=C(\C=C/c1ccc(cc1)C(C)C)\C=C/c1ccc(cc1)C(C)C
InChI:   InChI=1/C23H26O/c1-17(2)21-11-5-19(6-12-21)9-15-23(24)16-10-20-7-13-22(14-8-20)18(3)4/h5-18H,1-4H3/b15-9-,16-10-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.46 g/mol  logS: -7.47805  SlogP: 6.2291  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152613  Sterimol/B1: 3.0444  Sterimol/B2: 3.23689  Sterimol/B3: 4.38994
  Sterimol/B4: 9.07507  Sterimol/L: 13.1883 
 
 Surface and Volume Properties
  Accessible surface: 572.843  Positive charged surface: 379.731  Negative charged surface: 193.112  Volume: 353.625
  Hydrophobic surface: 506.18  Hydrophilic surface: 66.663
 
 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.