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


ENAMINE-ZINC03487412

 MMsINC code: MMs01469238
Type: Neutral
Formula: C17H21Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1CCNC(=O)CN1C(=O)C(NC1=O)CC(C)C
InChI:   InChI=1/C17H21Cl2N3O3/c1-10(2)7-14-16(24)22(17(25)21-14)9-15(23)20-6-5-11-3-4-12(18)8-13(11)19/h3-4,8,10,14H,5-7,9H2,1-2H3,(H,20,23)(H,21,25)/t14-/m0/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)=30.4998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.279 g/mol  logS: -5.06443  SlogP: 2.61857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518208  Sterimol/B1: 2.53855  Sterimol/B2: 3.38732  Sterimol/B3: 5.11383
  Sterimol/B4: 7.30391  Sterimol/L: 19.4194 
 
 Surface and Volume Properties
  Accessible surface: 644.192  Positive charged surface: 340.893  Negative charged surface: 303.299  Volume: 343
  Hydrophobic surface: 453.429  Hydrophilic surface: 190.763
 
 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.