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NCID-ZINC05496666

 MMsINC code: MMs02468043
Type: Neutral
Formula: C30H50O
SMILES:   OC1CCC2(C(CCC3(C2CC=C2C4CC(CCC4(CCC23C)C)(C)C)C)C1(C)C)C
InChI:   InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23-,24-,27-,28-,29-,30-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=226.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.729 g/mol  logS: -10.8402  SlogP: 8.1689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109615  Sterimol/B1: 2.3784  Sterimol/B2: 3.366  Sterimol/B3: 4.61716
  Sterimol/B4: 7.19561  Sterimol/L: 16.8841 
 
 Surface and Volume Properties
  Accessible surface: 635.958  Positive charged surface: 466.025  Negative charged surface: 169.933  Volume: 464.5
  Hydrophobic surface: 474.426  Hydrophilic surface: 161.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.