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


PUBCHEM-ZINC05761106

 MMsINC code: MMs03374340
Type: Neutral
Formula: C30H48O2
SMILES:   O(C(=O)C)C1CC2=CC=C3C4CCC(C(CCC(C(C)C)C)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10-11,19-21,24,26-28H,8-9,12-18H2,1-7H3/t20-,21+,24-,26+,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)=175.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.712 g/mol  logS: -10.7608  SlogP: 8.1256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454241  Sterimol/B1: 3.1691  Sterimol/B2: 4.25792  Sterimol/B3: 4.64339
  Sterimol/B4: 4.75891  Sterimol/L: 23.5048 
 
 Surface and Volume Properties
  Accessible surface: 751.378  Positive charged surface: 528  Negative charged surface: 223.378  Volume: 480.75
  Hydrophobic surface: 610.163  Hydrophilic surface: 141.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.