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IFLAB-ZINC02708804

 MMsINC code: MMs01997742
Type: Neutral
Formula: C10H10N2OS
SMILES:   S1C/C(/NC1=O)=N/c1ccc(cc1)C
InChI:   InChI=1/C10H10N2OS/c1-7-2-4-8(5-3-7)11-9-6-14-10(13)12-9/h2-5H,6H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=19.9962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.269 g/mol  logS: -3.73965  SlogP: 2.48142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514112  Sterimol/B1: 2.816  Sterimol/B2: 2.94503  Sterimol/B3: 3.93055
  Sterimol/B4: 4.63932  Sterimol/L: 12.8915 
 
 Surface and Volume Properties
  Accessible surface: 405.996  Positive charged surface: 213.041  Negative charged surface: 192.955  Volume: 189.375
  Hydrophobic surface: 270.499  Hydrophilic surface: 135.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.