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CHEMDIV-ZINC01077315

 MMsINC code: MMs00862290
Type: Neutral
Formula: C14H11N3O4S
SMILES:   S(=O)(=O)(Nc1c2c(ccc1)C(=O)NNC2=O)c1ccccc1
InChI:   InChI=1/C14H11N3O4S/c18-13-10-7-4-8-11(12(10)14(19)16-15-13)17-22(20,21)9-5-2-1-3-6-9/h1-8,17H,(H,15,18)(H,16,19)

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Potential Energy
Epot(MMFF94)=66.2143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.325 g/mol  logS: -3.59974  SlogP: 0.8756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.295233  Sterimol/B1: 2.47513  Sterimol/B2: 4.12551  Sterimol/B3: 5.39881
  Sterimol/B4: 6.72336  Sterimol/L: 11.7651 
 
 Surface and Volume Properties
  Accessible surface: 478.962  Positive charged surface: 243.716  Negative charged surface: 235.246  Volume: 258.125
  Hydrophobic surface: 262.022  Hydrophilic surface: 216.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.