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


ASINEX-ZINC04186382

 MMsINC code: MMs00316060
Type: Neutral
Formula: C14H25N3O7
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(OC)=O)CO)C
InChI:   InChI=1/C14H25N3O7/c1-8(11(20)17-9(7-18)12(21)23-5)16-10(19)6-15-13(22)24-14(2,3)4/h8-9,18H,6-7H2,1-5H3,(H,15,22)(H,16,19)(H,17,20)/t8-,9-/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)=62.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.368 g/mol  logS: -1.69954  SlogP: -1.3341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299312  Sterimol/B1: 1.9921  Sterimol/B2: 3.27005  Sterimol/B3: 3.54546
  Sterimol/B4: 6.3106  Sterimol/L: 21.5137 
 
 Surface and Volume Properties
  Accessible surface: 649.897  Positive charged surface: 476.893  Negative charged surface: 173.004  Volume: 320.75
  Hydrophobic surface: 370.786  Hydrophilic surface: 279.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.