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


CHEMSTAR-ZINC04014582

 MMsINC code: MMs01086555
Type: Neutral
Formula: C24H36N2O2
SMILES:   O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)CCC(C)c1ccccc1
InChI:   InChI=1/C24H36N2O2/c1-19(20-11-5-2-6-12-20)17-18-23(27)26(22-15-9-4-10-16-22)24(28)25-21-13-7-3-8-14-21/h2,5-6,11-12,19,21-22H,3-4,7-10,13-18H2,1H3,(H,25,28)/t19-/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)=72.4884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.564 g/mol  logS: -5.56966  SlogP: 5.7739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658995  Sterimol/B1: 2.48923  Sterimol/B2: 4.83632  Sterimol/B3: 4.91727
  Sterimol/B4: 6.38179  Sterimol/L: 19.4954 
 
 Surface and Volume Properties
  Accessible surface: 693.321  Positive charged surface: 486.204  Negative charged surface: 207.118  Volume: 405.875
  Hydrophobic surface: 623.424  Hydrophilic surface: 69.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.