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CHEMDIV-ZINC06732899

 MMsINC code: MMs01004413
Type: Neutral
Formula: C17H18N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(C)C)c1cc2CC(=O)Nc2cc1
InChI:   InChI=1/C17H18N2O3S/c1-11(2)12-3-5-14(6-4-12)19-23(21,22)15-7-8-16-13(9-15)10-17(20)18-16/h3-9,11,19H,10H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=51.0426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.408 g/mol  logS: -4.93704  SlogP: 3.10537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118079  Sterimol/B1: 3.895  Sterimol/B2: 4.08181  Sterimol/B3: 4.1661
  Sterimol/B4: 5.95558  Sterimol/L: 15.4221 
 
 Surface and Volume Properties
  Accessible surface: 552.828  Positive charged surface: 337.96  Negative charged surface: 214.869  Volume: 301.5
  Hydrophobic surface: 349.856  Hydrophilic surface: 202.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.