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


NCID-ZINC01564524

 MMsINC code: MMs02226187
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1NC(=O)NC=C1CNCCCN(C)C
InChI:   InChI=1/C10H18N4O2/c1-14(2)5-3-4-11-6-8-7-12-10(16)13-9(8)15/h7,11H,3-6H2,1-2H3,(H2,12,13,15,16)

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)=-10.7545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -0.28924  SlogP: -0.749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593584  Sterimol/B1: 2.84789  Sterimol/B2: 3.26864  Sterimol/B3: 3.68378
  Sterimol/B4: 4.00082  Sterimol/L: 16.0177 
 
 Surface and Volume Properties
  Accessible surface: 467.824  Positive charged surface: 365.682  Negative charged surface: 102.142  Volume: 222.125
  Hydrophobic surface: 292.274  Hydrophilic surface: 175.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02226188
NCID-ZINC01564524