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


ENAMINE-ZINC04477114

 MMsINC code: MMs01540355
Type: Neutral
Formula: C19H25N3O4
SMILES:   O1C(CN(CC1C)C(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C)C
InChI:   InChI=1/C19H25N3O4/c1-12-5-7-15(8-6-12)19(4)17(24)22(18(25)20-19)11-16(23)21-9-13(2)26-14(3)10-21/h5-8,13-14H,9-11H2,1-4H3,(H,20,25)/t13-,14-,19-/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)=76.1313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.426 g/mol  logS: -3.616  SlogP: 1.70932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647087  Sterimol/B1: 3.03397  Sterimol/B2: 3.90689  Sterimol/B3: 3.95282
  Sterimol/B4: 6.4315  Sterimol/L: 17.3679 
 
 Surface and Volume Properties
  Accessible surface: 618.571  Positive charged surface: 399.426  Negative charged surface: 219.145  Volume: 347.25
  Hydrophobic surface: 443.253  Hydrophilic surface: 175.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.