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


ENAMINE-ZINC03369261

 MMsINC code: MMs01400718
Type: Neutral
Formula: C15H14Cl2N2O2
SMILES:   Clc1cc(cnc1Cl)C(=O)NCCc1ccc(OC)cc1
InChI:   InChI=1/C15H14Cl2N2O2/c1-21-12-4-2-10(3-5-12)6-7-18-15(20)11-8-13(16)14(17)19-9-11/h2-5,8-9H,6-7H2,1H3,(H,18,20)

Download   format file 
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)=70.5952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.195 g/mol  logS: -3.93246  SlogP: 3.36947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436138  Sterimol/B1: 3.02909  Sterimol/B2: 3.07608  Sterimol/B3: 4.06584
  Sterimol/B4: 4.36997  Sterimol/L: 19.5798 
 
 Surface and Volume Properties
  Accessible surface: 566.238  Positive charged surface: 305.208  Negative charged surface: 261.03  Volume: 288.375
  Hydrophobic surface: 488.571  Hydrophilic surface: 77.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.