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


PUBCHEM-ZINC02019586

 MMsINC code: MMs02855199
Type: Neutral
Formula: C10H19N5O
SMILES:   O(C)c1nc(nc(n1)NCC)N(CC)CC
InChI:   InChI=1/C10H19N5O/c1-5-11-8-12-9(15(6-2)7-3)14-10(13-8)16-4/h5-7H2,1-4H3,(H,11,12,13,14)

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)=-53.8939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.296 g/mol  logS: -3.0113  SlogP: 1.1582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778301  Sterimol/B1: 2.88564  Sterimol/B2: 2.97652  Sterimol/B3: 3.63606
  Sterimol/B4: 8.04474  Sterimol/L: 13.2182 
 
 Surface and Volume Properties
  Accessible surface: 484.23  Positive charged surface: 395.259  Negative charged surface: 88.9712  Volume: 231.375
  Hydrophobic surface: 322.877  Hydrophilic surface: 161.353
 
 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.