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ENAMINE-ZINC00065347

 MMsINC code: MMs01222827
Type: Neutral
Formula: C12H11N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)c2cccnc2)cc1
InChI:   InChI=1/C12H11N3O3S/c13-19(17,18)11-5-3-10(4-6-11)15-12(16)9-2-1-7-14-8-9/h1-8H,(H,15,16)(H2,13,17,18)

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Potential Energy
Epot(MMFF94)=44.2151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.304 g/mol  logS: -2.32334  SlogP: 0.9813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250543  Sterimol/B1: 2.78502  Sterimol/B2: 3.08566  Sterimol/B3: 3.2403
  Sterimol/B4: 4.66446  Sterimol/L: 16.2896 
 
 Surface and Volume Properties
  Accessible surface: 477.733  Positive charged surface: 270.736  Negative charged surface: 206.997  Volume: 234.25
  Hydrophobic surface: 291.248  Hydrophilic surface: 186.485
 
 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


MMs01222828
ENAMINE-ZINC00065347