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CHEMDIV-ZINC07005313

 MMsINC code: MMs01070739
Type: Neutral
Formula: C16H20N2O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C16H20N2O5S/c1-11-12(2)17-23-16(11)13-4-5-14(21-3)15(10-13)24(19,20)18-6-8-22-9-7-18/h4-5,10H,6-9H2,1-3H3

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Potential Energy
Epot(MMFF94)=85.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.411 g/mol  logS: -3.15569  SlogP: 1.98794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813899  Sterimol/B1: 2.13525  Sterimol/B2: 5.31485  Sterimol/B3: 5.32359
  Sterimol/B4: 5.74035  Sterimol/L: 16.2371 
 
 Surface and Volume Properties
  Accessible surface: 566.194  Positive charged surface: 381.583  Negative charged surface: 184.612  Volume: 314
  Hydrophobic surface: 473.252  Hydrophilic surface: 92.942
 
 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.