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ENAMINE-ZINC02635971

 MMsINC code: MMs01265597
Type: Ionized
Formula: C15H14NO4S-
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)[O-])c1cc(C)c(cc1)C
InChI:   InChI=1/C15H15NO4S/c1-10-7-8-12(9-11(10)2)21(19,20)16-14-6-4-3-5-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=20.6754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.346 g/mol  logS: -4.22441  SlogP: 1.46774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.357967  Sterimol/B1: 3.70856  Sterimol/B2: 4.41311  Sterimol/B3: 4.77801
  Sterimol/B4: 6.15136  Sterimol/L: 11.2982 
 
 Surface and Volume Properties
  Accessible surface: 487.321  Positive charged surface: 232.535  Negative charged surface: 254.787  Volume: 268.5
  Hydrophobic surface: 348.272  Hydrophilic surface: 139.049
 
 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:


MMs01265596
ENAMINE-ZINC02635971