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


ENAMINE-ZINC02651189

 MMsINC code: MMs01275513
Type: Neutral
Formula: C23H20ClN3O5
SMILES:   Clc1cc(N)c(cc1)C(OCC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1OC)=O
InChI:   InChI=1/C23H20ClN3O5/c1-31-20-5-3-2-4-19(20)27-22(29)14-6-9-16(10-7-14)26-21(28)13-32-23(30)17-11-8-15(24)12-18(17)25/h2-12H,13,25H2,1H3,(H,26,28)(H,27,29)

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)=149.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.882 g/mol  logS: -6.23858  SlogP: 3.9786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00697019  Sterimol/B1: 2.41056  Sterimol/B2: 2.55496  Sterimol/B3: 3.46622
  Sterimol/B4: 7.42393  Sterimol/L: 23.4852 
 
 Surface and Volume Properties
  Accessible surface: 749.464  Positive charged surface: 435.385  Negative charged surface: 314.079  Volume: 405.125
  Hydrophobic surface: 585.957  Hydrophilic surface: 163.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.