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


CHEMDIV-ZINC00260958

 MMsINC code: MMs00847432
Type: Neutral
Formula: C16H23Cl2N3O
SMILES:   Clc1cc(NC(=O)N2CCC(N(C(C)C)C)CC2)ccc1Cl
InChI:   InChI=1/C16H23Cl2N3O/c1-11(2)20(3)13-6-8-21(9-7-13)16(22)19-12-4-5-14(17)15(18)10-12/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,22)

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)=54.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.286 g/mol  logS: -3.89547  SlogP: 4.3299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888467  Sterimol/B1: 2.83335  Sterimol/B2: 3.56584  Sterimol/B3: 4.45298
  Sterimol/B4: 5.99045  Sterimol/L: 17.8826 
 
 Surface and Volume Properties
  Accessible surface: 585.441  Positive charged surface: 347.271  Negative charged surface: 238.171  Volume: 320.875
  Hydrophobic surface: 510.174  Hydrophilic surface: 75.267
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00847433
CHEMDIV-ZINC00260958