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


PUBCHEM-ZINC04308826

 MMsINC code: MMs03113022
Type: Neutral
Formula: C14H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C14H22N4O4/c1-3-15-12(21)16-10(19)8-18-11(20)14(17-13(18)22)7-5-4-6-9(14)2/h9H,3-8H2,1-2H3,(H,17,22)(H2,15,16,19,21)/t9-,14-/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)=8.51801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -2.43571  SlogP: 0.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799336  Sterimol/B1: 3.23754  Sterimol/B2: 3.79734  Sterimol/B3: 4.31418
  Sterimol/B4: 4.73652  Sterimol/L: 16.647 
 
 Surface and Volume Properties
  Accessible surface: 537.741  Positive charged surface: 390.383  Negative charged surface: 147.358  Volume: 282.625
  Hydrophobic surface: 325.943  Hydrophilic surface: 211.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.