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


ASINEX-ZINC03010524

 MMsINC code: MMs00283329
Type: Neutral
Formula: C15H27N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C15H27N3O4/c1-9(2)11(17-14(21)22-15(3,4)5)13(20)18-8-6-7-10(18)12(16)19/h9-11H,6-8H2,1-5H3,(H2,16,19)(H,17,21)/t10-,11+/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)=77.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.398 g/mol  logS: -2.44983  SlogP: 1.012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1252  Sterimol/B1: 2.49765  Sterimol/B2: 4.02334  Sterimol/B3: 4.28007
  Sterimol/B4: 7.54754  Sterimol/L: 15.2738 
 
 Surface and Volume Properties
  Accessible surface: 556.079  Positive charged surface: 396.093  Negative charged surface: 159.986  Volume: 307.25
  Hydrophobic surface: 338.831  Hydrophilic surface: 217.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.