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ASINEX-ZINC02477831

 MMsINC code: MMs00272544
Type: Neutral
Formula: C6H7NO5S
SMILES:   S(=O)(=O)(N)c1oc(cc1)C(OC)=O
InChI:   InChI=1/C6H7NO5S/c1-11-6(8)4-2-3-5(12-4)13(7,9)10/h2-3H,1H3,(H2,7,9,10)

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Potential Energy
Epot(MMFF94)=15.3159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.19 g/mol  logS: -2.05605  SlogP: -0.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546968  Sterimol/B1: 2.6711  Sterimol/B2: 2.91892  Sterimol/B3: 3.19495
  Sterimol/B4: 5.20015  Sterimol/L: 11.7592 
 
 Surface and Volume Properties
  Accessible surface: 378.817  Positive charged surface: 218.455  Negative charged surface: 160.362  Volume: 155.875
  Hydrophobic surface: 181.884  Hydrophilic surface: 196.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00272545
ASINEX-ZINC02477831