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PUBCHEM-ZINC06037564

 MMsINC code: MMs03507620
Type: Neutral
Formula: C30H50O
SMILES:   O=C1C2C3(CCC4(C(CC(CC4)(C)C)C3(CCC2(C2CCCC(C)C2(C1)C)C)C)C)C
InChI:   InChI=1/C30H50O/c1-20-10-9-11-22-27(5)15-17-29(7)23-19-25(2,3)12-13-26(23,4)14-16-30(29,8)24(27)21(31)18-28(20,22)6/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26+,27-,28+,29-,30+/m0/s1

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Potential Energy
Epot(MMFF94)=238.118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.729 g/mol  logS: -12.397  SlogP: 8.457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12275  Sterimol/B1: 2.25222  Sterimol/B2: 3.9122  Sterimol/B3: 5.65758
  Sterimol/B4: 5.74621  Sterimol/L: 16.4555 
 
 Surface and Volume Properties
  Accessible surface: 621.384  Positive charged surface: 441.037  Negative charged surface: 180.347  Volume: 459.5
  Hydrophobic surface: 486.995  Hydrophilic surface: 134.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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.