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ASINEX-ZINC04973704

 MMsINC code: MMs00419148
Type: Neutral
Formula: C19H16N2O4S
SMILES:   S1(=O)(=O)N(CC(=O)c2c3c(n(C)c2C)cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C19H16N2O4S/c1-12-18(13-7-3-5-9-15(13)20(12)2)16(22)11-21-19(23)14-8-4-6-10-17(14)26(21,24)25/h3-10H,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=64.8552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.413 g/mol  logS: -4.42302  SlogP: 2.87332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592873  Sterimol/B1: 2.12445  Sterimol/B2: 3.92149  Sterimol/B3: 4.21274
  Sterimol/B4: 8.50301  Sterimol/L: 16.6876 
 
 Surface and Volume Properties
  Accessible surface: 580.44  Positive charged surface: 297.721  Negative charged surface: 277.184  Volume: 322.75
  Hydrophobic surface: 456.497  Hydrophilic surface: 123.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.