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NCID-ZINC05217980

 MMsINC code: MMs02450222
Type: Neutral
Formula: C18H26O
SMILES:   O(C\C=C(\CC\C=C(\CC)/C)/C)c1ccc(cc1)C
InChI:   InChI=1/C18H26O/c1-5-15(2)7-6-8-16(3)13-14-19-18-11-9-17(4)10-12-18/h7,9-13H,5-6,8,14H2,1-4H3/b15-7-,16-13-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.405 g/mol  logS: -5.43529  SlogP: 5.45662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716442  Sterimol/B1: 2.95698  Sterimol/B2: 3.7779  Sterimol/B3: 5.11046
  Sterimol/B4: 5.90658  Sterimol/L: 16.0211 
 
 Surface and Volume Properties
  Accessible surface: 567.02  Positive charged surface: 368.304  Negative charged surface: 198.716  Volume: 298.625
  Hydrophobic surface: 513.781  Hydrophilic surface: 53.239
 
 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.