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


PUBCHEM-ZINC05276038

 MMsINC code: MMs03230238
Type: Neutral
Formula: C24H40O2
SMILES:   OC1CC2=CCC3C4CCC(C(CCCO)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,16,18-22,25-26H,4-5,7-15H2,1-3H3/t16-,18+,19-,20+,21+,22-,23+,24-/m1/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)=187.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.582 g/mol  logS: -7.32119  SlogP: 5.3349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112765  Sterimol/B1: 2.58596  Sterimol/B2: 3.54234  Sterimol/B3: 5.23183
  Sterimol/B4: 5.27461  Sterimol/L: 18.1744 
 
 Surface and Volume Properties
  Accessible surface: 597.883  Positive charged surface: 458.248  Negative charged surface: 139.635  Volume: 386.5
  Hydrophobic surface: 449.244  Hydrophilic surface: 148.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.