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CHEMDIV-ZINC04636477

 MMsINC code: MMs00939333
Type: Neutral
Formula: C14H11NO4S
SMILES:   S(c1ccccc1C(O)=O)c1ccc(cc1N)C(O)=O
InChI:   InChI=1/C14H11NO4S/c15-10-7-8(13(16)17)5-6-12(10)20-11-4-2-1-3-9(11)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=78.2566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.311 g/mol  logS: -3.88982  SlogP: 2.8164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119396  Sterimol/B1: 2.47273  Sterimol/B2: 3.58306  Sterimol/B3: 4.5228
  Sterimol/B4: 6.47787  Sterimol/L: 14.8359 
 
 Surface and Volume Properties
  Accessible surface: 481.996  Positive charged surface: 268.938  Negative charged surface: 213.058  Volume: 250
  Hydrophobic surface: 233.859  Hydrophilic surface: 248.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00939334
CHEMDIV-ZINC04636477