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NCID-ZINC01610849

 MMsINC code: MMs02261667
Type: Neutral
Formula: C10H9N3S2
SMILES:   S1\C(\NC(=S)N=C1c1ccccc1)=N/C
InChI:   InChI=1/C10H9N3S2/c1-11-10-13-9(14)12-8(15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)

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Potential Energy
Epot(MMFF94)=17.9009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.335 g/mol  logS: -4.40538  SlogP: 2.0403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286311  Sterimol/B1: 2.07728  Sterimol/B2: 2.14393  Sterimol/B3: 3.505
  Sterimol/B4: 8.29787  Sterimol/L: 12.4012 
 
 Surface and Volume Properties
  Accessible surface: 430.058  Positive charged surface: 229.224  Negative charged surface: 200.833  Volume: 210.875
  Hydrophobic surface: 262.737  Hydrophilic surface: 167.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.