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


PUBCHEM-ZINC00645185

 MMsINC code: MMs02719576
Type: Neutral
Formula: C15H10Cl2N4O2S
SMILES:   Clc1ccc(cc1)-c1oc(SCC(=O)Nc2ncc(Cl)cc2)nn1
InChI:   InChI=1/C15H10Cl2N4O2S/c16-10-3-1-9(2-4-10)14-20-21-15(23-14)24-8-13(22)19-12-6-5-11(17)7-18-12/h1-7H,8H2,(H,18,19,22)

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)=64.9981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.243 g/mol  logS: -7.49318  SlogP: 4.1692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00174443  Sterimol/B1: 2.2549  Sterimol/B2: 2.49488  Sterimol/B3: 2.54527
  Sterimol/B4: 5.23978  Sterimol/L: 22.7673 
 
 Surface and Volume Properties
  Accessible surface: 607.292  Positive charged surface: 264.949  Negative charged surface: 342.342  Volume: 308
  Hydrophobic surface: 444.193  Hydrophilic surface: 163.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.