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


NCID-ZINC01631066

 MMsINC code: MMs02276136
Type: Neutral
Formula: C15H25NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)CCCCC
InChI:   InChI=1/C15H25NO5/c1-4-7-8-9-11-10-12(17)16-15(11,13(18)20-5-2)14(19)21-6-3/h11H,4-10H2,1-3H3,(H,16,17)/t11-/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)=49.8864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.367 g/mol  logS: -3.72905  SlogP: 1.5678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978893  Sterimol/B1: 2.98535  Sterimol/B2: 3.80777  Sterimol/B3: 5.61755
  Sterimol/B4: 7.31714  Sterimol/L: 17.019 
 
 Surface and Volume Properties
  Accessible surface: 586.331  Positive charged surface: 414.432  Negative charged surface: 171.899  Volume: 298.25
  Hydrophobic surface: 399.756  Hydrophilic surface: 186.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.