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


ENAMINE-ZINC06552907

 MMsINC code: MMs01672716
Type: Neutral
Formula: C21H23N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NCc2ccc(cc2)C)C1=O)C
InChI:   InChI=1/C21H23N3O4/c1-14-4-6-15(7-5-14)12-22-18(25)13-24-19(26)21(2,23-20(24)27)16-8-10-17(28-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,22,25)(H,23,27)/t21-/m1/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)=65.3054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.432 g/mol  logS: -4.59437  SlogP: 2.66492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398272  Sterimol/B1: 3.30272  Sterimol/B2: 3.38161  Sterimol/B3: 4.54442
  Sterimol/B4: 5.82488  Sterimol/L: 21.3119 
 
 Surface and Volume Properties
  Accessible surface: 680.784  Positive charged surface: 432.405  Negative charged surface: 248.379  Volume: 365.25
  Hydrophobic surface: 517.615  Hydrophilic surface: 163.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.