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ASINEX-ZINC02697751

 MMsINC code: MMs00276480
Type: Neutral
Formula: C19H15N3OS
SMILES:   s1cccc1C(=O)Nc1cc(ccc1)-c1nc2n(c1)C=CC(=C2)C
InChI:   InChI=1/C19H15N3OS/c1-13-7-8-22-12-16(21-18(22)10-13)14-4-2-5-15(11-14)20-19(23)17-6-3-9-24-17/h2-12H,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=75.1305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.415 g/mol  logS: -5.11796  SlogP: 4.7515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113347  Sterimol/B1: 2.49408  Sterimol/B2: 2.78955  Sterimol/B3: 2.94849
  Sterimol/B4: 9.25521  Sterimol/L: 17.7577 
 
 Surface and Volume Properties
  Accessible surface: 590.082  Positive charged surface: 296.982  Negative charged surface: 293.1  Volume: 314.75
  Hydrophobic surface: 521.7  Hydrophilic surface: 68.382
 
 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.