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ENAMINE-ZINC00127403

 MMsINC code: MMs01224790
Type: Neutral
Formula: C16H13FNO3S-
SMILES:   s1c2c(CCCC2)c(C(=O)[O-])c1NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H14FNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)/p-1

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Potential Energy
Epot(MMFF94)=36.7467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.348 g/mol  logS: -4.93352  SlogP: 2.38174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203717  Sterimol/B1: 2.51329  Sterimol/B2: 3.45584  Sterimol/B3: 4.24788
  Sterimol/B4: 4.72792  Sterimol/L: 16.3846 
 
 Surface and Volume Properties
  Accessible surface: 513.721  Positive charged surface: 284.397  Negative charged surface: 229.324  Volume: 274.625
  Hydrophobic surface: 406.609  Hydrophilic surface: 107.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01224791
ENAMINE-ZINC00127403