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


PUBCHEM-ZINC06934329

 MMsINC code: MMs03907428
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCCNC(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C14H27N3O4/c1-3-11(2)12(13(18)19)16-14(20)15-5-4-6-17-7-9-21-10-8-17/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)/t11-,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)=29.15 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.23728  SlogP: 0.5072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.062101  Sterimol/B1: 2.42738  Sterimol/B2: 3.06024  Sterimol/B3: 4.73596
  Sterimol/B4: 7.58311  Sterimol/L: 17.7133 
 
 Surface and Volume Properties
  Accessible surface: 590.737  Positive charged surface: 462.118  Negative charged surface: 128.62  Volume: 300.625
  Hydrophobic surface: 403.643  Hydrophilic surface: 187.094
 
 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.