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PUBCHEM-ZINC06030417

 MMsINC code: MMs03502921
Type: Neutral
Formula: C26H34O
SMILES:   Oc1c(cc(cc1C(C)c1ccccc1)C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C26H34O/c1-19(20-11-5-2-6-12-20)24-17-23(21-13-7-3-8-14-21)18-25(26(24)27)22-15-9-4-10-16-22/h2,5-6,11-12,17-19,21-22,27H,3-4,7-10,13-16H2,1H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.3938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.557 g/mol  logS: -8.92359  SlogP: 7.6394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181293  Sterimol/B1: 2.28107  Sterimol/B2: 4.88601  Sterimol/B3: 6.64483
  Sterimol/B4: 8.51284  Sterimol/L: 14.8004 
 
 Surface and Volume Properties
  Accessible surface: 660.827  Positive charged surface: 483.579  Negative charged surface: 177.248  Volume: 396.75
  Hydrophobic surface: 613.459  Hydrophilic surface: 47.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.