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


ENAMINE-ZINC03462727

 MMsINC code: MMs01458081
Type: Neutral
Formula: C19H23N3O4
SMILES:   O=C1N(CCC(=O)Nc2ccc(NC(=O)C)cc2)C(=O)C2C1CCCC2
InChI:   InChI=1/C19H23N3O4/c1-12(23)20-13-6-8-14(9-7-13)21-17(24)10-11-22-18(25)15-4-2-3-5-16(15)19(22)26/h6-9,15-16H,2-5,10-11H2,1H3,(H,20,23)(H,21,24)/t15-,16+

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)=48.0006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.41 g/mol  logS: -3.37685  SlogP: 2.1488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391942  Sterimol/B1: 3.31805  Sterimol/B2: 3.67811  Sterimol/B3: 4.47027
  Sterimol/B4: 4.71237  Sterimol/L: 19.9503 
 
 Surface and Volume Properties
  Accessible surface: 621.918  Positive charged surface: 413.092  Negative charged surface: 208.827  Volume: 335.5
  Hydrophobic surface: 463.649  Hydrophilic surface: 158.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.