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


PUBCHEM-ZINC06791988

 MMsINC code: MMs03860403
Type: Neutral
Formula: C10H15N3O2
SMILES:   O=C(N(C)C)c1c[nH]cc1C(=O)N(C)C
InChI:   InChI=1/C10H15N3O2/c1-12(2)9(14)7-5-11-6-8(7)10(15)13(3)4/h5-6,11H,1-4H3

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)=80.9246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.249 g/mol  logS: 0.09162  SlogP: 0.4183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642654  Sterimol/B1: 2.21902  Sterimol/B2: 3.32027  Sterimol/B3: 3.39938
  Sterimol/B4: 6.8069  Sterimol/L: 12.365 
 
 Surface and Volume Properties
  Accessible surface: 418.564  Positive charged surface: 340.824  Negative charged surface: 77.7402  Volume: 205.75
  Hydrophobic surface: 302.558  Hydrophilic surface: 116.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.