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PUBCHEM-ZINC01008402

 MMsINC code: MMs02755707
Type: Neutral
Formula: C18H14FNO3S
SMILES:   S1\C(=C\c2oc(cc2)-c2cc(F)ccc2)\C(=O)N(C(C=C)C)C1=O
InChI:   InChI=1/C18H14FNO3S/c1-3-11(2)20-17(21)16(24-18(20)22)10-14-7-8-15(23-14)12-5-4-6-13(19)9-12/h3-11H,1H2,2H3/b16-10-/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=35.6521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.378 g/mol  logS: -6.24984  SlogP: 4.6965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399088  Sterimol/B1: 2.36373  Sterimol/B2: 4.05701  Sterimol/B3: 5.71625
  Sterimol/B4: 6.41054  Sterimol/L: 17.1523 
 
 Surface and Volume Properties
  Accessible surface: 574.528  Positive charged surface: 275.866  Negative charged surface: 298.661  Volume: 307.75
  Hydrophobic surface: 417.829  Hydrophilic surface: 156.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.