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KEYORGANICS-ZINC04105410

 MMsINC code: MMs02123216
Type: Neutral
Formula: C14H8FNO4S
SMILES:   S(=O)(=O)(N1c2c(cccc2)C(=O)C1=O)c1ccc(F)cc1
InChI:   InChI=1/C14H8FNO4S/c15-9-5-7-10(8-6-9)21(19,20)16-12-4-2-1-3-11(12)13(17)14(16)18/h1-8H

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Potential Energy
Epot(MMFF94)=58.5121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.285 g/mol  logS: -4.27666  SlogP: 1.7439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135977  Sterimol/B1: 2.74671  Sterimol/B2: 3.14869  Sterimol/B3: 4.86468
  Sterimol/B4: 6.20098  Sterimol/L: 12.6507 
 
 Surface and Volume Properties
  Accessible surface: 459.637  Positive charged surface: 184.983  Negative charged surface: 274.654  Volume: 242.375
  Hydrophobic surface: 322.063  Hydrophilic surface: 137.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.