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


ENAMINE-ZINC03351410

 MMsINC code: MMs01389866
Type: Neutral
Formula: C14H9Cl2N3O3S
SMILES:   Clc1cc(NC(=O)CSc2oc(nn2)-c2occc2)cc(Cl)c1
InChI:   InChI=1/C14H9Cl2N3O3S/c15-8-4-9(16)6-10(5-8)17-12(20)7-23-14-19-18-13(22-14)11-2-1-3-21-11/h1-6H,7H2,(H,17,20)

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)=55.3198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.216 g/mol  logS: -8.00751  SlogP: 4.3672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00706932  Sterimol/B1: 2.69349  Sterimol/B2: 2.99256  Sterimol/B3: 3.84891
  Sterimol/B4: 5.30396  Sterimol/L: 20.1038 
 
 Surface and Volume Properties
  Accessible surface: 591.215  Positive charged surface: 218.103  Negative charged surface: 373.112  Volume: 292.625
  Hydrophobic surface: 423.818  Hydrophilic surface: 167.397
 
 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.