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CHEMBLOCK-ZINC03843093

 MMsINC code: MMs00540438
Type: Neutral
Formula: C9H20O4S2
SMILES:   S(C(SCC)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C9H20O4S2/c1-3-14-9(15-4-2)8(13)7(12)6(11)5-10/h6-13H,3-5H2,1-2H3/t6-,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=72.4009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.387 g/mol  logS: -1.29929  SlogP: -0.1063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859581  Sterimol/B1: 2.39795  Sterimol/B2: 3.04281  Sterimol/B3: 3.52946
  Sterimol/B4: 9.07529  Sterimol/L: 13.4001 
 
 Surface and Volume Properties
  Accessible surface: 489.264  Positive charged surface: 349.71  Negative charged surface: 139.554  Volume: 237.875
  Hydrophobic surface: 266.626  Hydrophilic surface: 222.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.