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ENAMINE-ZINC04735786

 MMsINC code: MMs01551315
Type: Neutral
Formula: C19H19NO5S
SMILES:   S(=O)(=O)(Nc1cc2c(oc(C)c2C(=O)C)cc1C)c1ccc(OC)cc1
InChI:   InChI=1/C19H19NO5S/c1-11-9-18-16(19(12(2)21)13(3)25-18)10-17(11)20-26(22,23)15-7-5-14(24-4)6-8-15/h5-10,20H,1-4H3

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Potential Energy
Epot(MMFF94)=75.9839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.429 g/mol  logS: -5.32856  SlogP: 4.06164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254501  Sterimol/B1: 2.45115  Sterimol/B2: 2.81551  Sterimol/B3: 6.32669
  Sterimol/B4: 9.54731  Sterimol/L: 14.0409 
 
 Surface and Volume Properties
  Accessible surface: 601.606  Positive charged surface: 342.284  Negative charged surface: 256.527  Volume: 334.25
  Hydrophobic surface: 476.803  Hydrophilic surface: 124.803
 
 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.