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CHEMDIV-ZINC02184755

 MMsINC code: MMs00871344
Type: Neutral
Formula: C19H16N2O3S
SMILES:   S(=O)(=O)(Nc1cc(C)c(cc1)C)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C19H16N2O3S/c1-11-6-7-13(10-12(11)2)21-25(23,24)17-9-8-16-18-14(17)4-3-5-15(18)19(22)20-16/h3-10,21H,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=83.2229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -6.19693  SlogP: 3.82314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29196  Sterimol/B1: 3.44882  Sterimol/B2: 3.92691  Sterimol/B3: 5.89603
  Sterimol/B4: 6.49283  Sterimol/L: 13.9055 
 
 Surface and Volume Properties
  Accessible surface: 547.016  Positive charged surface: 296.67  Negative charged surface: 243.862  Volume: 314.25
  Hydrophobic surface: 389.275  Hydrophilic surface: 157.741
 
 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.