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


CHEMBRIDGE-ZINC00144230

 MMsINC code: MMs00591346
Type: Neutral
Formula: C17H25ClN2O
SMILES:   Clc1cc(C(=O)NC2CC(CC(C2)C)(C)C)c(NC)cc1
InChI:   InChI=1/C17H25ClN2O/c1-11-7-13(10-17(2,3)9-11)20-16(21)14-8-12(18)5-6-15(14)19-4/h5-6,8,11,13,19H,7,9-10H2,1-4H3,(H,20,21)/t11-,13-/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)=94.7806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.853 g/mol  logS: -5.07856  SlogP: 4.3263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141796  Sterimol/B1: 3.63949  Sterimol/B2: 4.48241  Sterimol/B3: 4.49359
  Sterimol/B4: 6.29127  Sterimol/L: 13.737 
 
 Surface and Volume Properties
  Accessible surface: 541.88  Positive charged surface: 358.034  Negative charged surface: 183.846  Volume: 307.25
  Hydrophobic surface: 464.429  Hydrophilic surface: 77.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.