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ASINEX-ZINC01411874

 MMsINC code: MMs00253658
Type: Neutral
Formula: C11H12N2OS
SMILES:   S\1CC(=O)N(C)/C/1=N\c1ccc(cc1)C
InChI:   InChI=1/C11H12N2OS/c1-8-3-5-9(6-4-8)12-11-13(2)10(14)7-15-11/h3-6H,7H2,1-2H3/b12-11+

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Potential Energy
Epot(MMFF94)=51.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.296 g/mol  logS: -3.63366  SlogP: 2.18772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102317  Sterimol/B1: 2.84286  Sterimol/B2: 3.00351  Sterimol/B3: 3.68297
  Sterimol/B4: 4.66913  Sterimol/L: 12.9032 
 
 Surface and Volume Properties
  Accessible surface: 410.916  Positive charged surface: 242.301  Negative charged surface: 168.615  Volume: 204.875
  Hydrophobic surface: 297.278  Hydrophilic surface: 113.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.