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NCID-ZINC01573719

 MMsINC code: MMs02233087
Type: Neutral
Formula: C16H10N2O4S2
SMILES:   s1c2cc(N3C(=O)c4c(cccc4)C3=O)ccc2nc1S(=O)(=O)C
InChI:   InChI=1/C16H10N2O4S2/c1-24(21,22)16-17-12-7-6-9(8-13(12)23-16)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=96.6314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.398 g/mol  logS: -5.18613  SlogP: 2.5004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180417  Sterimol/B1: 2.03778  Sterimol/B2: 3.70528  Sterimol/B3: 4.21945
  Sterimol/B4: 5.00083  Sterimol/L: 18.0747 
 
 Surface and Volume Properties
  Accessible surface: 543.261  Positive charged surface: 244.477  Negative charged surface: 298.785  Volume: 289
  Hydrophobic surface: 376.977  Hydrophilic surface: 166.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.