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CHEMDIV-ZINC00186570

 MMsINC code: MMs00836777
Type: Ionized
Formula: C10H11FNO4S-
SMILES:   S(=O)(=O)(NC(CC)C(=O)[O-])c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S/c1-2-9(10(13)14)12-17(15,16)8-5-3-7(11)4-6-8/h3-6,9,12H,2H2,1H3,(H,13,14)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=19.813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.265 g/mol  logS: -2.30311  SlogP: -0.3675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219663  Sterimol/B1: 2.50478  Sterimol/B2: 3.13918  Sterimol/B3: 4.17139
  Sterimol/B4: 6.94819  Sterimol/L: 12.2106 
 
 Surface and Volume Properties
  Accessible surface: 416.314  Positive charged surface: 185.613  Negative charged surface: 230.702  Volume: 213.375
  Hydrophobic surface: 248.917  Hydrophilic surface: 167.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs00836776
CHEMDIV-ZINC00186570