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


ENAMINE-ZINC03338074

 MMsINC code: MMs01381194
Type: Neutral
Formula: C22H24Cl2N2O2
SMILES:   Clc1cc(ccc1)CNC(=O)C1CCC(CC1)C(=O)NCc1cc(Cl)ccc1
InChI:   InChI=1/C22H24Cl2N2O2/c23-19-5-1-3-15(11-19)13-25-21(27)17-7-9-18(10-8-17)22(28)26-14-16-4-2-6-20(24)12-16/h1-6,11-12,17-18H,7-10,13-14H2,(H,25,27)(H,26,28)/t17-,18-

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)=42.5504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.352 g/mol  logS: -5.40894  SlogP: 5.2652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480501  Sterimol/B1: 2.39245  Sterimol/B2: 4.70339  Sterimol/B3: 4.92666
  Sterimol/B4: 6.95905  Sterimol/L: 18.6203 
 
 Surface and Volume Properties
  Accessible surface: 718.73  Positive charged surface: 387.358  Negative charged surface: 331.372  Volume: 389.875
  Hydrophobic surface: 634.402  Hydrophilic surface: 84.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.