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PUBCHEM-ZINC05955940

 MMsINC code: MMs03459403
Type: Neutral
Formula: C20H30O2
SMILES:   OC(\C(=C\C=C/C(=C\C=C/1\C(CCC=C\1C)(C)C)/C)\C)CO
InChI:   InChI=1/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6-,15-11-,17-9+,18-12+/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=155.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.458 g/mol  logS: -6.05439  SlogP: 4.4811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184821  Sterimol/B1: 2.52837  Sterimol/B2: 4.3512  Sterimol/B3: 5.38003
  Sterimol/B4: 6.40568  Sterimol/L: 15.1009 
 
 Surface and Volume Properties
  Accessible surface: 599.599  Positive charged surface: 404.243  Negative charged surface: 195.355  Volume: 335.375
  Hydrophobic surface: 459.15  Hydrophilic surface: 140.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.