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ASINEX-ZINC00111913

 MMsINC code: MMs00076732
Type: Neutral
Formula: C18H16N2O3S
SMILES:   S(CC(=O)c1cc(C)c(OC)cc1)C=1NC(=O)c2c(N=1)cccc2
InChI:   InChI=1/C18H16N2O3S/c1-11-9-12(7-8-16(11)23-2)15(21)10-24-18-19-14-6-4-3-5-13(14)17(22)20-18/h3-9H,10H2,1-2H3,(H,19,20,22)

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Potential Energy
Epot(MMFF94)=55.9963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.403 g/mol  logS: -5.54939  SlogP: 3.35062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00570074  Sterimol/B1: 2.38311  Sterimol/B2: 2.51182  Sterimol/B3: 3.4994
  Sterimol/B4: 6.51422  Sterimol/L: 17.0914 
 
 Surface and Volume Properties
  Accessible surface: 590.569  Positive charged surface: 356.601  Negative charged surface: 233.968  Volume: 313.5
  Hydrophobic surface: 432.189  Hydrophilic surface: 158.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.