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


PUBCHEM-ZINC00477200

MMsINC code: MMs02688509

Type: Neutral
Formula: C15H10ClN3O
SMILES:   Clc1cc2c(nc(cc2C(=O)N)-c2ncccc2)cc1
InChI:   InChI=1/C15H10ClN3O/c16-9-4-5-12-10(7-9)11(15(17)20)8-14(19-12)13-3-1-2-6-18-13/h1-8H,(H2,17,20)

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)=69.7463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.718 g/mol  logS: -4.06567  SlogP: 3.0491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000193805  Sterimol/B1: 2.10546  Sterimol/B2: 2.12871  Sterimol/B3: 3.39947
  Sterimol/B4: 7.32908  Sterimol/L: 15.3515 
 
 Surface and Volume Properties
  Accessible surface: 488.531  Positive charged surface: 251.628  Negative charged surface: 231.368  Volume: 253.5
  Hydrophobic surface: 357.158  Hydrophilic surface: 131.373
 
 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.