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CHEMDIV-ZINC06887738

 MMsINC code: MMs01054077
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C19H20N2O4S/c1-12-6-5-7-16(10-12)21-26(22,23)18-11-15(8-9-17(18)24-4)19-13(2)14(3)20-25-19/h5-11,21H,1-4H3

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Potential Energy
Epot(MMFF94)=101.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -5.08641  SlogP: 4.07626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113045  Sterimol/B1: 2.1746  Sterimol/B2: 3.9216  Sterimol/B3: 5.43316
  Sterimol/B4: 7.21247  Sterimol/L: 16.4846 
 
 Surface and Volume Properties
  Accessible surface: 588.792  Positive charged surface: 343.189  Negative charged surface: 245.603  Volume: 337.75
  Hydrophobic surface: 480.586  Hydrophilic surface: 108.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.