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


IFLAB-ZINC04275835

 MMsINC code: MMs02034498
Type: Neutral
Formula: C12H23NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OC(C)(C)C
InChI:   InChI=1/C12H23NO6/c1-6(15)13-8-10(17)9(16)7(5-14)18-11(8)19-12(2,3)4/h7-11,14,16-17H,5H2,1-4H3,(H,13,15)/t7-,8-,9+,10-,11+/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)=95.1771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.317 g/mol  logS: -0.45933  SlogP: -1.2548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154436  Sterimol/B1: 3.05042  Sterimol/B2: 3.28628  Sterimol/B3: 3.56414
  Sterimol/B4: 7.77609  Sterimol/L: 12.0767 
 
 Surface and Volume Properties
  Accessible surface: 486.926  Positive charged surface: 356.949  Negative charged surface: 129.977  Volume: 261
  Hydrophobic surface: 279.528  Hydrophilic surface: 207.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.