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


MDPI-ZINC04204370

 MMsINC code: MMs02184123
Type: Neutral
Formula: C16H23NO11
SMILES:   O(C(C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(=O)N)C(=O)C
InChI:   InChI=1/C16H23NO11/c1-7(18)24-6-12(25-8(2)19)13(26-9(3)20)14(27-10(4)21)15(16(17)23)28-11(5)22/h12-15H,6H2,1-5H3,(H2,17,23)/t12-,13-,14+,15-/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)=73.8685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.356 g/mol  logS: -1.94675  SlogP: -1.2384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15262  Sterimol/B1: 4.10583  Sterimol/B2: 4.30049  Sterimol/B3: 4.8324
  Sterimol/B4: 7.06963  Sterimol/L: 14.4998 
 
 Surface and Volume Properties
  Accessible surface: 627.569  Positive charged surface: 374.691  Negative charged surface: 252.879  Volume: 351.875
  Hydrophobic surface: 419.446  Hydrophilic surface: 208.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.