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ENAMINE-ZINC00950291

 MMsINC code: MMs01236583
Type: Neutral
Formula: C19H23NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(O)=O)c1cc(cc(C)c1C)C(C)(C)C
InChI:   InChI=1/C19H23NO4S/c1-12-10-15(19(3,4)5)11-17(13(12)2)25(23,24)20-16-8-6-14(7-9-16)18(21)22/h6-11,20H,1-5H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=84.1106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.462 g/mol  logS: -5.67009  SlogP: 4.09994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264651  Sterimol/B1: 2.39328  Sterimol/B2: 3.01584  Sterimol/B3: 6.78139
  Sterimol/B4: 8.03319  Sterimol/L: 12.6751 
 
 Surface and Volume Properties
  Accessible surface: 579.793  Positive charged surface: 338.678  Negative charged surface: 241.115  Volume: 339.25
  Hydrophobic surface: 362.473  Hydrophilic surface: 217.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01236584
ENAMINE-ZINC00950291