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ASINEX-ZINC02184752

 MMsINC code: MMs00264683
Type: Neutral
Formula: C19H16N2O3S
SMILES:   S(=O)(=O)(Nc1cccc(C)c1C)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C19H16N2O3S/c1-11-5-3-8-15(12(11)2)21-25(23,24)17-10-9-16-18-13(17)6-4-7-14(18)19(22)20-16/h3-10,21H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=93.7061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -5.88348  SlogP: 3.82314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1446  Sterimol/B1: 2.67449  Sterimol/B2: 3.9861  Sterimol/B3: 5.55481
  Sterimol/B4: 5.98319  Sterimol/L: 14.8969 
 
 Surface and Volume Properties
  Accessible surface: 546.359  Positive charged surface: 282.951  Negative charged surface: 256.74  Volume: 310.75
  Hydrophobic surface: 395.033  Hydrophilic surface: 151.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.