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PUBCHEM-ZINC00973811

 MMsINC code: MMs02747167
Type: Neutral
Formula: C14H8FNO3S
SMILES:   S1\C(=C/c2oc(cc2)-c2ccc(F)cc2)\C(=O)NC1=O
InChI:   InChI=1/C14H8FNO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7-

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Potential Energy
Epot(MMFF94)=23.6925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.286 g/mol  logS: -5.53239  SlogP: 3.4096  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.13922e-07  Sterimol/B1: 2.17707  Sterimol/B2: 2.19293  Sterimol/B3: 3.94487
  Sterimol/B4: 6.46676  Sterimol/L: 14.2307 
 
 Surface and Volume Properties
  Accessible surface: 473.037  Positive charged surface: 213.879  Negative charged surface: 259.158  Volume: 241.375
  Hydrophobic surface: 309.028  Hydrophilic surface: 164.009
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.