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


ENAMINE-ZINC03352569

 MMsINC code: MMs01390510
Type: Neutral
Formula: C16H10ClFN2O3S
SMILES:   Clc1cccc(F)c1CSc1oc(nn1)-c1cc2OCOc2cc1
InChI:   InChI=1/C16H10ClFN2O3S/c17-11-2-1-3-12(18)10(11)7-24-16-20-19-15(23-16)9-4-5-13-14(6-9)22-8-21-13/h1-6H,7-8H2

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)=59.0344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.784 g/mol  logS: -7.72732  SlogP: 4.8165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338336  Sterimol/B1: 3.64297  Sterimol/B2: 3.86207  Sterimol/B3: 3.9905
  Sterimol/B4: 4.46049  Sterimol/L: 19.7471 
 
 Surface and Volume Properties
  Accessible surface: 574.221  Positive charged surface: 275.361  Negative charged surface: 298.86  Volume: 293.625
  Hydrophobic surface: 415.184  Hydrophilic surface: 159.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.