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NCID-ZINC01682808

 MMsINC code: MMs02316457
Type: Neutral
Formula: C4H10O5S2
SMILES:   S(=O)(=O)(CC(S(O)(=O)=O)C)C
InChI:   InChI=1/C4H10O5S2/c1-4(11(7,8)9)3-10(2,5)6/h4H,3H2,1-2H3,(H,7,8,9)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.1227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.251 g/mol  logS: -0.04947  SlogP: -1.2584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120227  Sterimol/B1: 2.08646  Sterimol/B2: 3.16623  Sterimol/B3: 3.78266
  Sterimol/B4: 5.4782  Sterimol/L: 11.3077 
 
 Surface and Volume Properties
  Accessible surface: 345.697  Positive charged surface: 165.401  Negative charged surface: 180.296  Volume: 148
  Hydrophobic surface: 156.459  Hydrophilic surface: 189.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02316458
NCID-ZINC01682808