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NCID-ZINC01733555

 MMsINC code: MMs02355977
Type: Neutral
Formula: C23H34O
SMILES:   O(C\C=C(/CC\C=C(\CCC=C(C)C)/C)\C)c1ccc(cc1)CC
InChI:   InChI=1/C23H34O/c1-6-22-13-15-23(16-14-22)24-18-17-21(5)12-8-11-20(4)10-7-9-19(2)3/h9,11,13-17H,6-8,10,12,18H2,1-5H3/b20-11+,21-17-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.9683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.524 g/mol  logS: -7.28915  SlogP: 7.04697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677365  Sterimol/B1: 2.52119  Sterimol/B2: 3.00955  Sterimol/B3: 3.91251
  Sterimol/B4: 12.0804  Sterimol/L: 16.3297 
 
 Surface and Volume Properties
  Accessible surface: 707.638  Positive charged surface: 478.794  Negative charged surface: 228.844  Volume: 384.125
  Hydrophobic surface: 640.734  Hydrophilic surface: 66.904
 
 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.