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CHEMBLOCK-ZINC01424459

 MMsINC code: MMs00520207
Type: Neutral
Formula: C16H11N3O3S2
SMILES:   S1c2cc(S(=O)(=O)Nc3cc4c(nc3)cccc4)ccc2NC1=O
InChI:   InChI=1/C16H11N3O3S2/c20-16-18-14-6-5-12(8-15(14)23-16)24(21,22)19-11-7-10-3-1-2-4-13(10)17-9-11/h1-9,19H,(H,18,20)

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Potential Energy
Epot(MMFF94)=55.5537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.414 g/mol  logS: -4.46784  SlogP: 3.6732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172043  Sterimol/B1: 3.06888  Sterimol/B2: 3.30744  Sterimol/B3: 4.77071
  Sterimol/B4: 7.45698  Sterimol/L: 14.1861 
 
 Surface and Volume Properties
  Accessible surface: 541.399  Positive charged surface: 258.272  Negative charged surface: 278.944  Volume: 291.875
  Hydrophobic surface: 307.103  Hydrophilic surface: 234.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.