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


PUBCHEM-ZINC05157093

 MMsINC code: MMs03213541
Type: Ionized
Formula: C12H21O10-
SMILES:   O1C(OC2OC(CO)C(O)CC2O)(CO)C([O-])C(O)C1CO
InChI:   InChI=1/C12H21O10/c13-2-7-5(16)1-6(17)11(20-7)22-12(4-15)10(19)9(18)8(3-14)21-12/h5-11,13-18H,1-4H2/q-1/t5-,6+,7+,8+,9+,10-,11+,12+/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)=93.3043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.29 g/mol  logS: 0.89166  SlogP: -3.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195389  Sterimol/B1: 3.45596  Sterimol/B2: 3.86016  Sterimol/B3: 4.72221
  Sterimol/B4: 6.08223  Sterimol/L: 12.3234 
 
 Surface and Volume Properties
  Accessible surface: 486.519  Positive charged surface: 334.575  Negative charged surface: 151.944  Volume: 268.875
  Hydrophobic surface: 236.681  Hydrophilic surface: 249.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 1  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   
Parent related molecule:


MMs03213540
PUBCHEM-ZINC05157093