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NCID-ZINC04758368

 MMsINC code: MMs02400676
Type: Neutral
Formula: C10H22O4S2
SMILES:   S(C(SCC)CC(O)C(O)C(O)CO)CC
InChI:   InChI=1/C10H22O4S2/c1-3-15-9(16-4-2)5-7(12)10(14)8(13)6-11/h7-14H,3-6H2,1-2H3/t7-,8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=64.0832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.414 g/mol  logS: -1.50106  SlogP: 0.2838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814883  Sterimol/B1: 2.17878  Sterimol/B2: 2.45811  Sterimol/B3: 3.91326
  Sterimol/B4: 8.42387  Sterimol/L: 14.4607 
 
 Surface and Volume Properties
  Accessible surface: 509.133  Positive charged surface: 364.83  Negative charged surface: 144.302  Volume: 254.25
  Hydrophobic surface: 279.291  Hydrophilic surface: 229.842
 
 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.