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PUBCHEM-ZINC05650487

 MMsINC code: MMs03336776
Type: Neutral
Formula: C25H34O2
SMILES:   O(CC)C(=O)\C=C(/C=C/C=C\Cc1cc2c(cc1)C(CCC2(C)C)(C)C)\C
InChI:   InChI=1/C25H34O2/c1-7-27-23(26)17-19(2)11-9-8-10-12-20-13-14-21-22(18-20)25(5,6)16-15-24(21,3)4/h8-11,13-14,17-18H,7,12,15-16H2,1-6H3/b10-8-,11-9+,19-17-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.545 g/mol  logS: -9.50752  SlogP: 6.19987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825523  Sterimol/B1: 2.83734  Sterimol/B2: 3.28758  Sterimol/B3: 6.00605
  Sterimol/B4: 6.66488  Sterimol/L: 20.2657 
 
 Surface and Volume Properties
  Accessible surface: 708.532  Positive charged surface: 470.496  Negative charged surface: 238.036  Volume: 405.375
  Hydrophobic surface: 572.833  Hydrophilic surface: 135.699
 
 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.