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


IBS-ZINC02278195

 MMsINC code: MMs01822300
Type: Neutral
Formula: C11H13Cl3N4O3S2
SMILES:   ClC(Cl)(Cl)C(NC(=O)C)NC(=S)Nc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C11H13Cl3N4O3S2/c1-6(19)16-9(11(12,13)14)18-10(22)17-7-2-4-8(5-3-7)23(15,20)21/h2-5,9H,1H3,(H,16,19)(H2,15,20,21)(H2,17,18,22)/t9-/m1/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)=67.7076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.741 g/mol  logS: -5.33986  SlogP: 1.8727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780384  Sterimol/B1: 2.09868  Sterimol/B2: 3.7251  Sterimol/B3: 4.12352
  Sterimol/B4: 8.24344  Sterimol/L: 16.4537 
 
 Surface and Volume Properties
  Accessible surface: 588.247  Positive charged surface: 225.903  Negative charged surface: 362.344  Volume: 312.625
  Hydrophobic surface: 202.831  Hydrophilic surface: 385.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01822301
IBS-ZINC02278195