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


NCID-ZINC01695705

 MMsINC code: MMs02326608
Type: Neutral
Formula: C6H10ClN5
SMILES:   Clc1ncnc(N(N)C)c1NC
InChI:   InChI=1/C6H10ClN5/c1-9-4-5(7)10-3-11-6(4)12(2)8/h3,9H,8H2,1-2H3

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)=153.89 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.634 g/mol  logS: -1.2174  SlogP: 0.4816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952383  Sterimol/B1: 2.57997  Sterimol/B2: 2.7394  Sterimol/B3: 2.88127
  Sterimol/B4: 6.24736  Sterimol/L: 10.1094 
 
 Surface and Volume Properties
  Accessible surface: 358.04  Positive charged surface: 256.671  Negative charged surface: 101.37  Volume: 165
  Hydrophobic surface: 223.451  Hydrophilic surface: 134.589
 
 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.