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APOLLO-ZINC01047189

 MMsINC code: MMs00049025
Type: Ionized
Formula: C6H7N2O4S-
SMILES:   S(=O)(=O)(N)c1n(C)c(cc1)C(=O)[O-]
InChI:   InChI=1/C6H8N2O4S/c1-8-4(6(9)10)2-3-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-19.4638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.198 g/mol  logS: -0.64275  SlogP: -1.6048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639929  Sterimol/B1: 2.07198  Sterimol/B2: 3.07085  Sterimol/B3: 3.08657
  Sterimol/B4: 6.08156  Sterimol/L: 10.9574 
 
 Surface and Volume Properties
  Accessible surface: 348.886  Positive charged surface: 160.974  Negative charged surface: 187.913  Volume: 159.25
  Hydrophobic surface: 127.662  Hydrophilic surface: 221.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00049024
APOLLO-ZINC01047189