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


ENAMINE-ZINC03341716

 MMsINC code: MMs01383495
Type: Neutral
Formula: C20H16ClFN2O4
SMILES:   Clc1cccc(F)c1COC(=O)CN1C(=O)C2(NC1=O)CCc1c2cccc1
InChI:   InChI=1/C20H16ClFN2O4/c21-15-6-3-7-16(22)13(15)11-28-17(25)10-24-18(26)20(23-19(24)27)9-8-12-4-1-2-5-14(12)20/h1-7H,8-11H2,(H,23,27)/t20-/m0/s1

Download   format file 
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)=47.0914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.809 g/mol  logS: -5.39337  SlogP: 3.49367  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0780634  Sterimol/B1: 2.42374  Sterimol/B2: 4.19902  Sterimol/B3: 4.2295
  Sterimol/B4: 7.04399  Sterimol/L: 17.7577 
 
 Surface and Volume Properties
  Accessible surface: 629.045  Positive charged surface: 322.706  Negative charged surface: 306.339  Volume: 342.5
  Hydrophobic surface: 505.974  Hydrophilic surface: 123.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.