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


IFLAB-ZINC02711262

 MMsINC code: MMs01998556
Type: Neutral
Formula: C10H15N3O3
SMILES:   O=C1N(C)C(=O)N(C)C(NC(=O)C(C)C)=C1
InChI:   InChI=1/C10H15N3O3/c1-6(2)9(15)11-7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15)

Download   format file 
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)=11.4226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -1.1393  SlogP: 0.1238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618873  Sterimol/B1: 2.55187  Sterimol/B2: 2.81192  Sterimol/B3: 3.54239
  Sterimol/B4: 5.56837  Sterimol/L: 13.1114 
 
 Surface and Volume Properties
  Accessible surface: 431.151  Positive charged surface: 307.422  Negative charged surface: 123.729  Volume: 210.75
  Hydrophobic surface: 279.925  Hydrophilic surface: 151.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.