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


PUBCHEM-ZINC05759907

 MMsINC code: MMs03373532
Type: Neutral
Formula: C14H26N4O3
SMILES:   O=C(NC(=O)CNC(=O)C(NC)CC(C)C)C1NCCC1
InChI:   InChI=1/C14H26N4O3/c1-9(2)7-11(15-3)13(20)17-8-12(19)18-14(21)10-5-4-6-16-10/h9-11,15-16H,4-8H2,1-3H3,(H,17,20)(H,18,19,21)/t10-,11+/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)=80.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.387 g/mol  logS: -1.96867  SlogP: -0.8685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416954  Sterimol/B1: 2.01458  Sterimol/B2: 3.22187  Sterimol/B3: 4.99039
  Sterimol/B4: 6.49521  Sterimol/L: 17.7831 
 
 Surface and Volume Properties
  Accessible surface: 598.124  Positive charged surface: 454.876  Negative charged surface: 143.248  Volume: 298.375
  Hydrophobic surface: 399.073  Hydrophilic surface: 199.051
 
 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


MMs03373533
PUBCHEM-ZINC05759907