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NCID-ZINC01650819

 MMsINC code: MMs02290423
Type: Neutral
Formula: C26H40O4
SMILES:   O(C)c1c(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)c(C)c(OC)c(OC)c1OC
InChI:   InChI=1/C26H40O4/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-22-21(5)23(27-6)25(29-8)26(30-9)24(22)28-7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.602 g/mol  logS: -7.27355  SlogP: 6.99109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118655  Sterimol/B1: 2.18867  Sterimol/B2: 4.1118  Sterimol/B3: 6.46016
  Sterimol/B4: 7.9481  Sterimol/L: 19.9242 
 
 Surface and Volume Properties
  Accessible surface: 786.244  Positive charged surface: 619.986  Negative charged surface: 166.258  Volume: 456.875
  Hydrophobic surface: 737.581  Hydrophilic surface: 48.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.