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ENAMINE-ZINC05119732

 MMsINC code: MMs01589134
Type: Neutral
Formula: C17H14N4O3S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(=O)N\N=C\c1ncccc1
InChI:   InChI=1/C17H14N4O3S2/c22-17(20-19-12-13-6-3-4-10-18-13)14-7-1-2-8-15(14)21-26(23,24)16-9-5-11-25-16/h1-12,21H,(H,20,22)/b19-12+

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Potential Energy
Epot(MMFF94)=109.624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.456 g/mol  logS: -4.05978  SlogP: 2.7078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09117  Sterimol/B1: 2.37358  Sterimol/B2: 4.23092  Sterimol/B3: 4.93367
  Sterimol/B4: 8.72611  Sterimol/L: 16.5461 
 
 Surface and Volume Properties
  Accessible surface: 619.881  Positive charged surface: 323.26  Negative charged surface: 296.621  Volume: 329.375
  Hydrophobic surface: 460.683  Hydrophilic surface: 159.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.