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CHEMBRIDGE-ZINC00314152

 MMsINC code: MMs00607113
Type: Neutral
Formula: C18H12FNO3S
SMILES:   s1c(cc(C(O)=O)c1NC(=O)c1ccccc1F)-c1ccccc1
InChI:   InChI=1/C18H12FNO3S/c19-14-9-5-4-8-12(14)16(21)20-17-13(18(22)23)10-15(24-17)11-6-2-1-3-7-11/h1-10H,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=72.1808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.362 g/mol  logS: -5.97944  SlogP: 4.5047  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.16586e-07  Sterimol/B1: 2.17849  Sterimol/B2: 2.19151  Sterimol/B3: 3.41968
  Sterimol/B4: 7.69174  Sterimol/L: 17.7544 
 
 Surface and Volume Properties
  Accessible surface: 556.391  Positive charged surface: 266.852  Negative charged surface: 289.539  Volume: 298.375
  Hydrophobic surface: 438.557  Hydrophilic surface: 117.834
 
 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


MMs00607114
CHEMBRIDGE-ZINC00314152