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ACROSORGANICS-ZINC06661577

 MMsINC code: MMs00018974
Type: Neutral
Formula: C14H14N4OS
SMILES:   S=C(Nc1ccc(NNC=O)cc1)Nc1ccccc1
InChI:   InChI=1/C14H14N4OS/c19-10-15-18-13-8-6-12(7-9-13)17-14(20)16-11-4-2-1-3-5-11/h1-10,18H,(H,15,19)(H2,16,17,20)

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Potential Energy
Epot(MMFF94)=144.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.359 g/mol  logS: -4.26435  SlogP: 2.5684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216903  Sterimol/B1: 2.24003  Sterimol/B2: 3.24818  Sterimol/B3: 3.52524
  Sterimol/B4: 5.11505  Sterimol/L: 18.0717 
 
 Surface and Volume Properties
  Accessible surface: 515.896  Positive charged surface: 293.875  Negative charged surface: 222.021  Volume: 265.875
  Hydrophobic surface: 324.95  Hydrophilic surface: 190.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.