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


PUBCHEM-ZINC06050183

 MMsINC code: MMs03514796
Type: Neutral
Formula: C23H36O3
SMILES:   O1CCOC12CCC1(C(=CCC3C4CCC(O)C4(CCC13)C)C2(C)C)C
InChI:   InChI=1/C23H36O3/c1-20(2)18-7-5-15-16-6-8-19(24)22(16,4)10-9-17(15)21(18,3)11-12-23(20)25-13-14-26-23/h7,15-17,19,24H,5-6,8-14H2,1-4H3/t15-,16-,17-,19-,21-,22+/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)=213.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.538 g/mol  logS: -4.71289  SlogP: 4.6893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165065  Sterimol/B1: 2.37738  Sterimol/B2: 3.30498  Sterimol/B3: 4.66836
  Sterimol/B4: 6.54411  Sterimol/L: 14.8535 
 
 Surface and Volume Properties
  Accessible surface: 554.201  Positive charged surface: 442.482  Negative charged surface: 111.719  Volume: 367.625
  Hydrophobic surface: 459.692  Hydrophilic surface: 94.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.