logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06358654

 MMsINC code: MMs03685072
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-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=245.884 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: 0.16956  Sterimol/B1: 2.88764  Sterimol/B2: 2.94074  Sterimol/B3: 5.7977
  Sterimol/B4: 7.82332  Sterimol/L: 15.5818 
 
 Surface and Volume Properties
  Accessible surface: 630.262  Positive charged surface: 437.495  Negative charged surface: 192.767  Volume: 462.25
  Hydrophobic surface: 475.571  Hydrophilic surface: 154.691
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.