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


NCID-ZINC04994956

 MMsINC code: MMs02425868
Type: Neutral
Formula: C7H14O7S
SMILES:   S(OC1C(O)C(O)COC1OC)(=O)(=O)C
InChI:   InChI=1/C7H14O7S/c1-12-7-6(14-15(2,10)11)5(9)4(8)3-13-7/h4-9H,3H2,1-2H3/t4-,5-,6+,7-/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)=55.3303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.248 g/mol  logS: 0.13396  SlogP: -1.9443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192682  Sterimol/B1: 1.969  Sterimol/B2: 3.63444  Sterimol/B3: 3.73418
  Sterimol/B4: 7.80597  Sterimol/L: 10.9432 
 
 Surface and Volume Properties
  Accessible surface: 408.202  Positive charged surface: 285.64  Negative charged surface: 122.562  Volume: 192.625
  Hydrophobic surface: 242.69  Hydrophilic surface: 165.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.