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MAYBRIDGE-ZINC00150862

 MMsINC code: MMs02141675
Type: Ionized
Formula: C8H7N2O3S2-
SMILES:   S1N(c2c(cc(S(=O)([O-])=[NH])cc2)C1=O)C
InChI:   InChI=1/C8H7N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H-,9,12,13)/q-1

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Potential Energy
Epot(MMFF94)=60.6557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.287 g/mol  logS: -2.93986  SlogP: 0.8964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518968  Sterimol/B1: 2.96526  Sterimol/B2: 3.18652  Sterimol/B3: 3.20971
  Sterimol/B4: 5.95369  Sterimol/L: 12.1015 
 
 Surface and Volume Properties
  Accessible surface: 392.787  Positive charged surface: 172.189  Negative charged surface: 220.598  Volume: 187.875
  Hydrophobic surface: 237.078  Hydrophilic surface: 155.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  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:


MMs02141674
MAYBRIDGE-ZINC00150862