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PUBCHEM-ZINC05922735

 MMsINC code: MMs03444695
Type: Neutral
Formula: C30H46O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C(CC)C)C(C)c1cc(cc(C(C)(C)C)c1O)C(CC)C
InChI:   InChI=1/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3/t18-,19+,20-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -10.4305  SlogP: 8.8716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1953  Sterimol/B1: 2.07676  Sterimol/B2: 2.75708  Sterimol/B3: 6.43504
  Sterimol/B4: 10.1416  Sterimol/L: 14.8774 
 
 Surface and Volume Properties
  Accessible surface: 738.664  Positive charged surface: 519.232  Negative charged surface: 219.432  Volume: 490.5
  Hydrophobic surface: 513.91  Hydrophilic surface: 224.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.