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


ASINEX-ZINC04186695

 MMsINC code: MMs00316089
Type: Neutral
Formula: C15H30N6O3
SMILES:   O=C1N(C)C(NC(=O)NC(CC)C)C(NC(=O)NC(CC)C)N1C
InChI:   InChI=1/C15H30N6O3/c1-7-9(3)16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-10(4)8-2/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t9-,10-,11+,12+/m0/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)=-53.3895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.444 g/mol  logS: -1.04261  SlogP: 0.8312  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0998342  Sterimol/B1: 2.18609  Sterimol/B2: 2.46963  Sterimol/B3: 5.20902
  Sterimol/B4: 10.0439  Sterimol/L: 15.4397 
 
 Surface and Volume Properties
  Accessible surface: 657.601  Positive charged surface: 501.93  Negative charged surface: 155.671  Volume: 345.75
  Hydrophobic surface: 440.477  Hydrophilic surface: 217.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.