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ASINEX-ZINC04520053

 MMsINC code: MMs00347907
Type: Neutral
Formula: C19H16N2O3S
SMILES:   s1cccc1C(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1O)C
InChI:   InChI=1/C19H16N2O3S/c1-12-4-9-16(22)15(11-12)21-18(23)13-5-7-14(8-6-13)20-19(24)17-3-2-10-25-17/h2-11,22H,1H3,(H,20,24)(H,21,23)

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Potential Energy
Epot(MMFF94)=97.7904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -5.2435  SlogP: 4.26672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0093006  Sterimol/B1: 2.22519  Sterimol/B2: 2.5314  Sterimol/B3: 3.17707
  Sterimol/B4: 6.92757  Sterimol/L: 20.1154 
 
 Surface and Volume Properties
  Accessible surface: 607.852  Positive charged surface: 314.869  Negative charged surface: 292.983  Volume: 321.875
  Hydrophobic surface: 488.333  Hydrophilic surface: 119.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.