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ASINEX-ZINC02473055

 MMsINC code: MMs00272178
Type: Neutral
Formula: C10H10N2O5S2
SMILES:   S(=O)(=O)(N)c1c2c(cc(S(=O)(=O)N)cc2O)ccc1
InChI:   InChI=1/C10H10N2O5S2/c11-18(14,15)7-4-6-2-1-3-9(19(12,16)17)10(6)8(13)5-7/h1-5,13H,(H2,11,14,15)(H2,12,16,17)

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Potential Energy
Epot(MMFF94)=30.9065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.331 g/mol  logS: -3.35403  SlogP: -0.1598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751686  Sterimol/B1: 2.45349  Sterimol/B2: 2.93785  Sterimol/B3: 3.52747
  Sterimol/B4: 6.72551  Sterimol/L: 12.7434 
 
 Surface and Volume Properties
  Accessible surface: 438.586  Positive charged surface: 200.962  Negative charged surface: 227.775  Volume: 222.25
  Hydrophobic surface: 175.855  Hydrophilic surface: 262.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00272179
ASINEX-ZINC02473055