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ENAMINE-ZINC04735827

 MMsINC code: MMs01551355
Type: Neutral
Formula: C19H19NO4S
SMILES:   S(=O)(=O)(Nc1cc2c(oc(C)c2C(=O)C)cc1C)c1ccc(cc1)C
InChI:   InChI=1/C19H19NO4S/c1-11-5-7-15(8-6-11)25(22,23)20-17-10-16-18(9-12(17)2)24-14(4)19(16)13(3)21/h5-10,20H,1-4H3

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Potential Energy
Epot(MMFF94)=65.9748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.43 g/mol  logS: -5.7521  SlogP: 4.36146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245263  Sterimol/B1: 2.23289  Sterimol/B2: 2.87498  Sterimol/B3: 6.08352
  Sterimol/B4: 8.6525  Sterimol/L: 14.0342 
 
 Surface and Volume Properties
  Accessible surface: 589.252  Positive charged surface: 312.736  Negative charged surface: 274.559  Volume: 330.5
  Hydrophobic surface: 472.894  Hydrophilic surface: 116.358
 
 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.