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CHEMBLOCK-ZINC04403306

 MMsINC code: MMs00550478
Type: Neutral
Formula: C10H22O4S2
SMILES:   S(C(SCC)C(O)C(O)C(O)C(O)C)CC
InChI:   InChI=1/C10H22O4S2/c1-4-15-10(16-5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=88.2491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.414 g/mol  logS: -1.6265  SlogP: 0.2822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997523  Sterimol/B1: 2.08929  Sterimol/B2: 3.41771  Sterimol/B3: 3.66386
  Sterimol/B4: 9.5218  Sterimol/L: 13.6553 
 
 Surface and Volume Properties
  Accessible surface: 501.463  Positive charged surface: 354.482  Negative charged surface: 146.98  Volume: 253.375
  Hydrophobic surface: 294.746  Hydrophilic surface: 206.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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
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Ions/Tautomers related molecules: no related molecules available.