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


AURORAFEINCHEMIE-ZINC06548066

 MMsINC code: MMs00477028
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1ccc(cc1)CNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChI:   InChI=1/C20H23ClN2O3/c1-13(2)18(20(25)22-12-14-4-8-16(21)9-5-14)23-19(24)15-6-10-17(26-3)11-7-15/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)/t18-/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)=81.9023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.868 g/mol  logS: -4.9869  SlogP: 3.6858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689307  Sterimol/B1: 2.46904  Sterimol/B2: 3.72682  Sterimol/B3: 4.14782
  Sterimol/B4: 7.30966  Sterimol/L: 21.2751 
 
 Surface and Volume Properties
  Accessible surface: 658.174  Positive charged surface: 380.538  Negative charged surface: 277.636  Volume: 359
  Hydrophobic surface: 546.817  Hydrophilic surface: 111.357
 
 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.