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MAYBRIDGE-ZINC04389123

 MMsINC code: MMs02173401
Type: Neutral
Formula: C19H18N2O4S
SMILES:   S(=O)(=O)(NCc1c(noc1C)-c1ccccc1)c1cc2CCOc2cc1
InChI:   InChI=1/C19H18N2O4S/c1-13-17(19(21-25-13)14-5-3-2-4-6-14)12-20-26(22,23)16-7-8-18-15(11-16)9-10-24-18/h2-8,11,20H,9-10,12H2,1H3

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Potential Energy
Epot(MMFF94)=54.2837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.429 g/mol  logS: -4.57993  SlogP: 3.32979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137979  Sterimol/B1: 2.49429  Sterimol/B2: 3.37161  Sterimol/B3: 5.86546
  Sterimol/B4: 8.86392  Sterimol/L: 15.5831 
 
 Surface and Volume Properties
  Accessible surface: 592.439  Positive charged surface: 327.545  Negative charged surface: 264.894  Volume: 332.5
  Hydrophobic surface: 482.513  Hydrophilic surface: 109.926
 
 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.