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CHEMBRIDGE-ZINC00313956

 MMsINC code: MMs00607066
Type: Neutral
Formula: C19H15NO3S
SMILES:   s1c(cc(C(O)=O)c1NC(=O)c1ccccc1C)-c1ccccc1
InChI:   InChI=1/C19H15NO3S/c1-12-7-5-6-10-14(12)17(21)20-18-15(19(22)23)11-16(24-18)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=85.4816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.399 g/mol  logS: -6.15838  SlogP: 4.67402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00272697  Sterimol/B1: 2.08869  Sterimol/B2: 2.20554  Sterimol/B3: 2.48313
  Sterimol/B4: 9.20227  Sterimol/L: 17.6557 
 
 Surface and Volume Properties
  Accessible surface: 571.089  Positive charged surface: 296.197  Negative charged surface: 274.892  Volume: 309.75
  Hydrophobic surface: 463.384  Hydrophilic surface: 107.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00607067
CHEMBRIDGE-ZINC00313956