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NCID-ZINC05217978

 MMsINC code: MMs02450221
Type: Neutral
Formula: C18H26O2
SMILES:   O(C\C=C(/CC\C=C(\CC)/C)\C)c1cc(OC)ccc1
InChI:   InChI=1/C18H26O2/c1-5-15(2)8-6-9-16(3)12-13-20-18-11-7-10-17(14-18)19-4/h7-8,10-12,14H,5-6,9,13H2,1-4H3/b15-8-,16-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.6737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.404 g/mol  logS: -5.01175  SlogP: 5.1568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304561  Sterimol/B1: 2.33523  Sterimol/B2: 2.38358  Sterimol/B3: 3.83436
  Sterimol/B4: 7.64782  Sterimol/L: 17.9589 
 
 Surface and Volume Properties
  Accessible surface: 594.546  Positive charged surface: 410.917  Negative charged surface: 183.628  Volume: 308.625
  Hydrophobic surface: 530.061  Hydrophilic surface: 64.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.