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


CHEMBRIDGE-ZINC04898315

 MMsINC code: MMs00809559
Type: Neutral
Formula: C19H20Cl2N2O
SMILES:   Clc1ccc(cc1)C1NC(C(C)C(=NO)C1C)c1ccc(Cl)cc1
InChI:   InChI=1/C19H20Cl2N2O/c1-11-17(23-24)12(2)19(14-5-9-16(21)10-6-14)22-18(11)13-3-7-15(20)8-4-13/h3-12,18-19,22,24H,1-2H3/b23-17-/t11-,12+,18+,19+/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)=143.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.288 g/mol  logS: -4.82465  SlogP: 5.6724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306239  Sterimol/B1: 2.95315  Sterimol/B2: 3.02651  Sterimol/B3: 5.70681
  Sterimol/B4: 7.20048  Sterimol/L: 14.5611 
 
 Surface and Volume Properties
  Accessible surface: 569.291  Positive charged surface: 290.726  Negative charged surface: 278.564  Volume: 329.375
  Hydrophobic surface: 466.927  Hydrophilic surface: 102.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00809560
CHEMBRIDGE-ZINC04898315