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


NCID-ZINC01736086

 MMsINC code: MMs02357763
Type: Neutral
Formula: C15H23NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(CC)C1C(OCC)=O
InChI:   InChI=1/C15H23NO7/c1-5-9-10(12(18)21-6-2)11(17)16-15(9,13(19)22-7-3)14(20)23-8-4/h9-10H,5-8H2,1-4H3,(H,16,17)/t9-,10-/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)=56.0171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.349 g/mol  logS: -2.79333  SlogP: 0.1867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138255  Sterimol/B1: 2.18132  Sterimol/B2: 2.4935  Sterimol/B3: 5.70989
  Sterimol/B4: 10.486  Sterimol/L: 15.9642 
 
 Surface and Volume Properties
  Accessible surface: 598.071  Positive charged surface: 416.345  Negative charged surface: 181.726  Volume: 308.75
  Hydrophobic surface: 383.524  Hydrophilic surface: 214.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.