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


ENAMINE-ZINC04744905

 MMsINC code: MMs01551491
Type: Neutral
Formula: C16H25NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1OCC
InChI:   InChI=1/C16H25NO9/c1-6-22-16-13(17-8(2)18)15(25-11(5)21)14(24-10(4)20)12(26-16)7-23-9(3)19/h12-16H,6-7H2,1-5H3,(H,17,18)/t12-,13+,14+,15-,16+/m0/s1

Download   format file 
Drug Similarity  |  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)=58.9896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.374 g/mol  logS: -1.65912  SlogP: -0.321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285008  Sterimol/B1: 2.37039  Sterimol/B2: 5.07989  Sterimol/B3: 5.34442
  Sterimol/B4: 9.9997  Sterimol/L: 14.03 
 
 Surface and Volume Properties
  Accessible surface: 632.085  Positive charged surface: 411.245  Negative charged surface: 220.84  Volume: 339.875
  Hydrophobic surface: 463.756  Hydrophilic surface: 168.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.