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IBS-ZINC01447328

 MMsINC code: MMs01767900
Type: Neutral
Formula: C19H18N2O3S
SMILES:   S\1\C(=C\c2ccc(OC)cc2OC)\C(=O)N/C/1=N\c1ccccc1C
InChI:   InChI=1/C19H18N2O3S/c1-12-6-4-5-7-15(12)20-19-21-18(22)17(25-19)10-13-8-9-14(23-2)11-16(13)24-3/h4-11H,1-3H3,(H,20,21,22)/b17-10-

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Potential Energy
Epot(MMFF94)=101.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.43 g/mol  logS: -5.27052  SlogP: 3.90382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517152  Sterimol/B1: 2.31728  Sterimol/B2: 3.64944  Sterimol/B3: 5.73018
  Sterimol/B4: 7.04094  Sterimol/L: 17.3401 
 
 Surface and Volume Properties
  Accessible surface: 614.472  Positive charged surface: 393.494  Negative charged surface: 220.978  Volume: 330.125
  Hydrophobic surface: 499.585  Hydrophilic surface: 114.887
 
 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.