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PUBCHEM-ZINC06358797

 MMsINC code: MMs03685234
Type: Neutral
Formula: C30H50O
SMILES:   O=C1CC(C2CCC3(C(CCC4C5C(CCC34C)(CCC5C(C)C)C)C2(C1)C)C)(C)C
InChI:   InChI=1/C30H50O/c1-19(2)21-11-13-27(5)15-16-29(7)22(25(21)27)9-10-24-28(6)18-20(31)17-26(3,4)23(28)12-14-30(24,29)8/h19,21-25H,9-18H2,1-8H3/t21-,22+,23+,24+,25+,27+,28+,29-,30+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=283.134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.729 g/mol  logS: -12.7105  SlogP: 8.3129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117469  Sterimol/B1: 2.79607  Sterimol/B2: 3.17965  Sterimol/B3: 4.67599
  Sterimol/B4: 7.34083  Sterimol/L: 16.2156 
 
 Surface and Volume Properties
  Accessible surface: 630.415  Positive charged surface: 436.829  Negative charged surface: 193.586  Volume: 461.875
  Hydrophobic surface: 475.607  Hydrophilic surface: 154.808
 
 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.