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


NCID-ZINC05004503

 MMsINC code: MMs02426728
Type: Neutral
Formula: C24H36O4
SMILES:   OC1CC2=CCC3C4CCC(C(=O)CC(OCC)=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H36O4/c1-4-28-22(27)14-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,2)19(17)10-12-24(18,20)3/h5,16-20,25H,4,6-14H2,1-3H3/t16-,17+,18-,19+,20-,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)=149.344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.548 g/mol  logS: -5.7782  SlogP: 4.4486  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0902198  Sterimol/B1: 2.95548  Sterimol/B2: 3.51843  Sterimol/B3: 4.38604
  Sterimol/B4: 6.93535  Sterimol/L: 18.7698 
 
 Surface and Volume Properties
  Accessible surface: 634.754  Positive charged surface: 477.488  Negative charged surface: 157.266  Volume: 393.625
  Hydrophobic surface: 486.889  Hydrophilic surface: 147.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.