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


NCID-ZINC05460748

 MMsINC code: MMs02463789
Type: Neutral
Formula: C13H19N3O3
SMILES:   OC(C(N)C(=O)NC(Cc1ccccc1)C(=O)N)C
InChI:   InChI=1/C13H19N3O3/c1-8(17)11(14)13(19)16-10(12(15)18)7-9-5-3-2-4-6-9/h2-6,8,10-11,17H,7,14H2,1H3,(H2,15,18)(H,16,19)/t8-,10+,11+/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)=81.9707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.313 g/mol  logS: -1.68707  SlogP: -1.09273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120032  Sterimol/B1: 2.64153  Sterimol/B2: 4.08883  Sterimol/B3: 4.31825
  Sterimol/B4: 7.15232  Sterimol/L: 13.0999 
 
 Surface and Volume Properties
  Accessible surface: 491.943  Positive charged surface: 309.809  Negative charged surface: 182.135  Volume: 256.625
  Hydrophobic surface: 279.172  Hydrophilic surface: 212.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.