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


ASINEX-ZINC04697358

 MMsINC code: MMs00360888
Type: Neutral
Formula: C26H40O2
SMILES:   O(C(=O)c1ccc(cc1)C1CCC(CC1)CCCC)C1CCC(CC1)CCC
InChI:   InChI=1/C26H40O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h14-17,20-22,25H,3-13,18-19H2,1-2H3/t20-,21-,22-,25-

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)=61.8041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.604 g/mol  logS: -9.79227  SlogP: 7.6663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271401  Sterimol/B1: 2.38873  Sterimol/B2: 3.27496  Sterimol/B3: 4.23367
  Sterimol/B4: 6.84221  Sterimol/L: 25.6288 
 
 Surface and Volume Properties
  Accessible surface: 759.174  Positive charged surface: 574.153  Negative charged surface: 185.021  Volume: 429
  Hydrophobic surface: 682.158  Hydrophilic surface: 77.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.