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


ENAMINE-ZINC03533427

 MMsINC code: MMs01494961
Type: Neutral
Formula: C19H19Cl2N3O5S
SMILES:   Clc1cc(Cl)cnc1NC(=O)C(OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C
InChI:   InChI=1/C19H19Cl2N3O5S/c1-12(18(25)23-17-16(21)10-14(20)11-22-17)29-19(26)13-4-6-15(7-5-13)30(27,28)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,22,23,25)/t12-/m0/s1

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)=76.6214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.349 g/mol  logS: -5.07789  SlogP: 3.3569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449364  Sterimol/B1: 2.3527  Sterimol/B2: 3.83415  Sterimol/B3: 4.46038
  Sterimol/B4: 9.117  Sterimol/L: 19.4222 
 
 Surface and Volume Properties
  Accessible surface: 724.43  Positive charged surface: 376.576  Negative charged surface: 347.854  Volume: 392
  Hydrophobic surface: 567.474  Hydrophilic surface: 156.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.