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MDPI-ZINC04293434

 MMsINC code: MMs02187291
Type: Neutral
Formula: C14H15N5S
SMILES:   S\C(=N\Nc1ccccc1)\C(=N\Nc1ccccc1)\N
InChI:   InChI=1/C14H15N5S/c15-13(18-16-11-7-3-1-4-8-11)14(20)19-17-12-9-5-2-6-10-12/h1-10,16-17H,(H2,15,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=123.32 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.375 g/mol  logS: -4.47671  SlogP: 2.7261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000368992  Sterimol/B1: 2.13316  Sterimol/B2: 2.40678  Sterimol/B3: 3.76178
  Sterimol/B4: 4.68883  Sterimol/L: 18.4925 
 
 Surface and Volume Properties
  Accessible surface: 540.298  Positive charged surface: 283.818  Negative charged surface: 256.48  Volume: 272.75
  Hydrophobic surface: 392.596  Hydrophilic surface: 147.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.