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


CHEMBRIDGE-ZINC04011351

 MMsINC code: MMs00759025
Type: Neutral
Formula: C24H34O3
SMILES:   O(C(=O)C)C1CC2=CCC3C4CC(C)=C(C(=O)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3/t18-,19-,20+,21-,23-,24+/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)=139.124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.533 g/mol  logS: -6.03419  SlogP: 5.3963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136692  Sterimol/B1: 2.52964  Sterimol/B2: 3.69967  Sterimol/B3: 5.78667
  Sterimol/B4: 5.93207  Sterimol/L: 16.2656 
 
 Surface and Volume Properties
  Accessible surface: 601.461  Positive charged surface: 409.218  Negative charged surface: 192.243  Volume: 380.25
  Hydrophobic surface: 496.796  Hydrophilic surface: 104.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.