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


ENAMINE-ZINC04469285

 MMsINC code: MMs01539713
Type: Neutral
Formula: C19H23Cl2N3O3
SMILES:   Clc1cc(ccc1Cl)C(NC(=O)CN1C(=O)C2(NC1=O)CCC(CC2)C)C
InChI:   InChI=1/C19H23Cl2N3O3/c1-11-5-7-19(8-6-11)17(26)24(18(27)23-19)10-16(25)22-12(2)13-3-4-14(20)15(21)9-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,12-,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)=41.122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.317 g/mol  logS: -5.75711  SlogP: 3.7668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527633  Sterimol/B1: 3.10225  Sterimol/B2: 3.65869  Sterimol/B3: 4.3969
  Sterimol/B4: 5.426  Sterimol/L: 20.6334 
 
 Surface and Volume Properties
  Accessible surface: 658.093  Positive charged surface: 353.847  Negative charged surface: 304.246  Volume: 365.125
  Hydrophobic surface: 502.231  Hydrophilic surface: 155.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.