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ASINEX-ZINC03163117

 MMsINC code: MMs00287502
Type: Neutral
Formula: C5H10O5S2
SMILES:   S(OC1CCS(=O)(=O)C1)(=O)(=O)C
InChI:   InChI=1/C5H10O5S2/c1-11(6,7)10-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=21.2994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.262 g/mol  logS: -0.41805  SlogP: -0.8503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151591  Sterimol/B1: 2.84554  Sterimol/B2: 3.01383  Sterimol/B3: 3.58719
  Sterimol/B4: 4.19473  Sterimol/L: 10.7065 
 
 Surface and Volume Properties
  Accessible surface: 355.235  Positive charged surface: 165.482  Negative charged surface: 189.753  Volume: 157
  Hydrophobic surface: 202.164  Hydrophilic surface: 153.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.