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ENAMINE-ZINC03208123

 MMsINC code: MMs01306701
Type: Ionized
Formula: C14H11FNO4S-
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(=O)[O-])c1ccc(F)cc1C
InChI:   InChI=1/C14H12FNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=33.5311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.309 g/mol  logS: -3.73202  SlogP: 1.29842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.313066  Sterimol/B1: 2.71347  Sterimol/B2: 3.17459  Sterimol/B3: 5.91136
  Sterimol/B4: 6.30319  Sterimol/L: 12.2559 
 
 Surface and Volume Properties
  Accessible surface: 471.804  Positive charged surface: 201.49  Negative charged surface: 270.314  Volume: 260.625
  Hydrophobic surface: 305.822  Hydrophilic surface: 165.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs01306700
ENAMINE-ZINC03208123