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AURORAFEINCHEMIE-ZINC05429328

 MMsINC code: MMs00475353
Type: Ionized
Formula: C12H14FN2O3S-
SMILES:   S(CCC(NC(=O)Nc1ccc(F)cc1)C(=O)[O-])C
InChI:   InChI=1/C12H15FN2O3S/c1-19-7-6-10(11(16)17)15-12(18)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.319 g/mol  logS: -3.17311  SlogP: 0.8188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632861  Sterimol/B1: 2.28153  Sterimol/B2: 2.64527  Sterimol/B3: 3.62696
  Sterimol/B4: 9.08789  Sterimol/L: 13.8622 
 
 Surface and Volume Properties
  Accessible surface: 509.359  Positive charged surface: 257.772  Negative charged surface: 251.586  Volume: 252.125
  Hydrophobic surface: 339.522  Hydrophilic surface: 169.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs00475352
AURORAFEINCHEMIE-ZINC05429328