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


ASINEX-ZINC04385932

 MMsINC code: MMs00330612
Type: Tautomer
Formula: C10H8ClFN2
SMILES:   Clc1cccc(F)c1Cn1ccnc1
InChI:   InChI=1/C10H8ClFN2/c11-9-2-1-3-10(12)8(9)6-14-5-4-13-7-14/h1-5,7H,6H2

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)=24.8993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.639 g/mol  logS: -2.68028  SlogP: 2.9903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153459  Sterimol/B1: 2.48675  Sterimol/B2: 4.10385  Sterimol/B3: 4.14368
  Sterimol/B4: 4.46503  Sterimol/L: 11.0285 
 
 Surface and Volume Properties
  Accessible surface: 371.678  Positive charged surface: 205.885  Negative charged surface: 165.793  Volume: 184.875
  Hydrophobic surface: 326.458  Hydrophilic surface: 45.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs00330611
ASINEX-ZINC04385932