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NCID-ZINC05837038

 MMsINC code: MMs02504817
Type: Neutral
Formula: C33H52O2
SMILES:   O(C)c1c2c(cccc2)c(OC)c(C)c1C\C=C(\CCCC(CCCC(CCCC(C)C)C)C)/C
InChI:   InChI=1/C33H52O2/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-19-27(5)22-23-29-28(6)32(34-7)30-20-9-10-21-31(30)33(29)35-8/h9-10,20-22,24-26H,11-19,23H2,1-8H3/b27-22+/t25-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.777 g/mol  logS: -13.0712  SlogP: 10.0933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561607  Sterimol/B1: 2.32918  Sterimol/B2: 5.6371  Sterimol/B3: 7.2964
  Sterimol/B4: 7.32995  Sterimol/L: 24.5877 
 
 Surface and Volume Properties
  Accessible surface: 898.782  Positive charged surface: 667.818  Negative charged surface: 222.081  Volume: 552.125
  Hydrophobic surface: 801.914  Hydrophilic surface: 96.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.