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PUBCHEM-ZINC05983599

 MMsINC code: MMs03476792
Type: Neutral
Formula: C13H10N2O3S
SMILES:   S1(=O)(=O)N(Cc2ncccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C13H10N2O3S/c16-13-11-6-1-2-7-12(11)19(17,18)15(13)9-10-5-3-4-8-14-10/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=34.3516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.3 g/mol  logS: -2.48915  SlogP: 1.6927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122711  Sterimol/B1: 2.90441  Sterimol/B2: 3.04221  Sterimol/B3: 4.48202
  Sterimol/B4: 5.54733  Sterimol/L: 13.3182 
 
 Surface and Volume Properties
  Accessible surface: 459.246  Positive charged surface: 248.343  Negative charged surface: 210.904  Volume: 231.75
  Hydrophobic surface: 348.801  Hydrophilic surface: 110.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.