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CHEMDIV-ZINC03662207

 MMsINC code: MMs00915927
Type: Neutral
Formula: C19H23NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OCC)=O)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C19H23NO4S/c1-4-24-19(21)16-7-9-17(10-8-16)20-25(22,23)18-11-5-15(6-12-18)13-14(2)3/h5-12,14,20H,4,13H2,1-3H3

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Potential Energy
Epot(MMFF94)=58.5896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.462 g/mol  logS: -5.77524  SlogP: 3.86257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753599  Sterimol/B1: 2.60952  Sterimol/B2: 3.24387  Sterimol/B3: 5.23109
  Sterimol/B4: 8.88418  Sterimol/L: 17.1265 
 
 Surface and Volume Properties
  Accessible surface: 632.064  Positive charged surface: 393.12  Negative charged surface: 238.944  Volume: 344.375
  Hydrophobic surface: 452.703  Hydrophilic surface: 179.361
 
 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.