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


ENAMINE-ZINC03273814

 MMsINC code: MMs01344213
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1ccccc1N1C(=O)/C(/c2c(cccc2)C1=O)=C\Nc1ccccc1CC
InChI:   InChI=1/C24H19ClN2O2/c1-2-16-9-3-7-13-21(16)26-15-19-17-10-4-5-11-18(17)23(28)27(24(19)29)22-14-8-6-12-20(22)25/h3-15,26H,2H2,1H3/b19-15-

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)=133.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -7.04153  SlogP: 5.54237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658489  Sterimol/B1: 2.33778  Sterimol/B2: 3.42073  Sterimol/B3: 5.99854
  Sterimol/B4: 10.0791  Sterimol/L: 14.9218 
 
 Surface and Volume Properties
  Accessible surface: 651.027  Positive charged surface: 319.301  Negative charged surface: 331.726  Volume: 376.5
  Hydrophobic surface: 597.646  Hydrophilic surface: 53.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01344214
ENAMINE-ZINC03273814