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


ASINEX-ZINC00339857

 MMsINC code: MMs00120827
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1N(C2N(CC)C(=O)NC2N1CC)CC
InChI:   InChI=1/C10H18N4O2/c1-4-12-7-8(14(6-3)10(12)16)13(5-2)9(15)11-7/h7-8H,4-6H2,1-3H3,(H,11,15)/t7-,8+/m1/s1

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)=-15.9319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -0.34092  SlogP: 0.4611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128893  Sterimol/B1: 2.48175  Sterimol/B2: 3.76351  Sterimol/B3: 4.89929
  Sterimol/B4: 5.41781  Sterimol/L: 12.8033 
 
 Surface and Volume Properties
  Accessible surface: 432.574  Positive charged surface: 309.185  Negative charged surface: 123.39  Volume: 220.625
  Hydrophobic surface: 266.509  Hydrophilic surface: 166.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.