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PUBCHEM-ZINC04749243

 MMsINC code: MMs03165803
Type: Ionized
Formula: C10H11FNO4S2-
SMILES:   S(=O)(=O)(NC(C(=O)[O-])CSC)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S2/c1-17-6-9(10(13)14)12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=23.5151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.331 g/mol  logS: -2.76601  SlogP: -0.4145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130096  Sterimol/B1: 3.71478  Sterimol/B2: 3.98781  Sterimol/B3: 4.35809
  Sterimol/B4: 4.89528  Sterimol/L: 14.2706 
 
 Surface and Volume Properties
  Accessible surface: 457.846  Positive charged surface: 194.067  Negative charged surface: 263.779  Volume: 232.75
  Hydrophobic surface: 287.846  Hydrophilic surface: 170
 
 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:


MMs03165802
PUBCHEM-ZINC04749243