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


ASINEX-ZINC04814110

MMsINC code: MMs00372498

Type: Neutral
Formula: C15H13ClN2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C/c1cccc(C)c1O
InChI:   InChI=1/C15H13ClN2O2/c1-10-3-2-4-12(14(10)19)9-17-18-15(20)11-5-7-13(16)8-6-11/h2-9,19H,1H3,(H,18,20)/b17-9-

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)=113.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.734 g/mol  logS: -4.07096  SlogP: 3.11792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314959  Sterimol/B1: 2.54362  Sterimol/B2: 3.60931  Sterimol/B3: 3.82076
  Sterimol/B4: 5.66587  Sterimol/L: 15.1041 
 
 Surface and Volume Properties
  Accessible surface: 504.608  Positive charged surface: 252.052  Negative charged surface: 252.555  Volume: 263.875
  Hydrophobic surface: 388.003  Hydrophilic surface: 116.605
 
 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.