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CHEMBRIDGE-ZINC01193598

 MMsINC code: MMs00685168
Type: Neutral
Formula: C18H14FNO3S2
SMILES:   s1cccc1-c1csc(NC(=O)c2ccc(F)cc2)c1C(OCC)=O
InChI:   InChI=1/C18H14FNO3S2/c1-2-23-18(22)15-13(14-4-3-9-24-14)10-25-17(15)20-16(21)11-5-7-12(19)8-6-11/h3-10H,2H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=80.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.444 g/mol  logS: -6.37273  SlogP: 5.0447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396156  Sterimol/B1: 2.10899  Sterimol/B2: 2.5177  Sterimol/B3: 4.95296
  Sterimol/B4: 9.06859  Sterimol/L: 17.1762 
 
 Surface and Volume Properties
  Accessible surface: 605.749  Positive charged surface: 284.013  Negative charged surface: 321.736  Volume: 323.125
  Hydrophobic surface: 523.174  Hydrophilic surface: 82.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.