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


AURORAFEINCHEMIE-ZINC04593477

 MMsINC code: MMs00469941
Type: Neutral
Formula: C19H17ClFNO
SMILES:   Clc1c2c(NC(C3C2C=CC3)c2ccccc2F)c(OC)cc1
InChI:   InChI=1/C19H17ClFNO/c1-23-16-10-9-14(20)17-11-6-4-7-12(11)18(22-19(16)17)13-5-2-3-8-15(13)21/h2-6,8-12,18,22H,7H2,1H3/t11-,12+,18-/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)=135.269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.802 g/mol  logS: -4.70023  SlogP: 5.4097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144262  Sterimol/B1: 2.48578  Sterimol/B2: 3.77048  Sterimol/B3: 4.28301
  Sterimol/B4: 8.70286  Sterimol/L: 13.7887 
 
 Surface and Volume Properties
  Accessible surface: 529.248  Positive charged surface: 308.614  Negative charged surface: 220.635  Volume: 300.375
  Hydrophobic surface: 484.845  Hydrophilic surface: 44.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.