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IFLAB-ZINC02685425

 MMsINC code: MMs01993202
Type: Neutral
Formula: C17H13N3O4S
SMILES:   S(=O)(=O)(Nc1c2c(cccc2)c(O)cc1)c1cc2NC(=O)Nc2cc1
InChI:   InChI=1/C17H13N3O4S/c21-16-8-7-13(11-3-1-2-4-12(11)16)20-25(23,24)10-5-6-14-15(9-10)19-17(22)18-14/h1-9,20-21H,(H2,18,19,22)

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Potential Energy
Epot(MMFF94)=67.0759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.374 g/mol  logS: -4.78432  SlogP: 3.3036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302698  Sterimol/B1: 2.3587  Sterimol/B2: 4.40715  Sterimol/B3: 6.01134
  Sterimol/B4: 6.80738  Sterimol/L: 12.6088 
 
 Surface and Volume Properties
  Accessible surface: 532.575  Positive charged surface: 285.746  Negative charged surface: 238.983  Volume: 294.625
  Hydrophobic surface: 294.667  Hydrophilic surface: 237.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.