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


CHEMBRIDGE-ZINC01891140

 MMsINC code: MMs00699536
Type: Neutral
Formula: C14H19ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)NC(=O)NCCCOC(C)C
InChI:   InChI=1/C14H19ClN2O3/c1-10(2)20-9-3-8-16-14(19)17-13(18)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18,19)

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)=26.4948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.77 g/mol  logS: -3.49266  SlogP: 2.5945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191629  Sterimol/B1: 2.10744  Sterimol/B2: 3.62129  Sterimol/B3: 4.50524
  Sterimol/B4: 4.53832  Sterimol/L: 20.4014 
 
 Surface and Volume Properties
  Accessible surface: 578.14  Positive charged surface: 344.978  Negative charged surface: 233.163  Volume: 280.5
  Hydrophobic surface: 432.147  Hydrophilic surface: 145.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.