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IBS-ZINC02199071

 MMsINC code: MMs01799859
Type: Ionized
Formula: C11H10FN2O4S-
SMILES:   S(=O)(=O)(Nc1c2cc(F)ccc2[nH]c1C(=O)[O-])CC
InChI:   InChI=1/C11H11FN2O4S/c1-2-19(17,18)14-9-7-5-6(12)3-4-8(7)13-10(9)11(15)16/h3-5,13-14H,2H2,1H3,(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=-18.9218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.275 g/mol  logS: -2.51772  SlogP: 0.4321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159045  Sterimol/B1: 2.54843  Sterimol/B2: 3.45766  Sterimol/B3: 4.82047
  Sterimol/B4: 7.27801  Sterimol/L: 11.9933 
 
 Surface and Volume Properties
  Accessible surface: 441.835  Positive charged surface: 197.489  Negative charged surface: 241.737  Volume: 224.125
  Hydrophobic surface: 248.035  Hydrophilic surface: 193.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs01799858
IBS-ZINC02199071