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NCID-ZINC01583699

 MMsINC code: MMs02240517
Type: Neutral
Formula: C10H22O6S
SMILES:   S(C(OCC)C(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C10H22O6S/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.346 g/mol  logS: -0.24751  SlogP: -1.462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636094  Sterimol/B1: 2.44926  Sterimol/B2: 3.186  Sterimol/B3: 3.30579
  Sterimol/B4: 7.71529  Sterimol/L: 15.2097 
 
 Surface and Volume Properties
  Accessible surface: 504.279  Positive charged surface: 364.827  Negative charged surface: 139.452  Volume: 250.125
  Hydrophobic surface: 266.678  Hydrophilic surface: 237.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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
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Ions/Tautomers related molecules: no related molecules available.