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


ACROSORGANICS-ZINC04283896

 MMsINC code: MMs00017940
Type: Neutral
Formula: C12H24O11
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(C(O)C(O)CO)C(O)CO
InChI:   InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6-,7-,8+,9+,10-,11-,12+/m1/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)=146.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.313 g/mol  logS: 1.91747  SlogP: -5.7612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.310908  Sterimol/B1: 2.59657  Sterimol/B2: 3.02148  Sterimol/B3: 5.71597
  Sterimol/B4: 8.2615  Sterimol/L: 11.8808 
 
 Surface and Volume Properties
  Accessible surface: 539.081  Positive charged surface: 412.277  Negative charged surface: 126.804  Volume: 288.125
  Hydrophobic surface: 192.143  Hydrophilic surface: 346.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.