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NCID-ZINC04692597

 MMsINC code: MMs02394086
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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Potential Energy
Epot(MMFF94)=97.9833 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: 0.0902097  Sterimol/B1: 2.50897  Sterimol/B2: 3.34745  Sterimol/B3: 3.62054
  Sterimol/B4: 7.61484  Sterimol/L: 15.1687 
 
 Surface and Volume Properties
  Accessible surface: 507.393  Positive charged surface: 367.331  Negative charged surface: 140.062  Volume: 250.375
  Hydrophobic surface: 263.721  Hydrophilic surface: 243.672
 
 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.