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ENAMINE-ZINC00610918

 MMsINC code: MMs01233873
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccc(cc1C)C
InChI:   InChI=1/C15H15NO4S/c1-10-7-8-14(11(2)9-10)21(19,20)16-13-6-4-3-5-12(13)15(17)18/h3-9,16H,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.65051  SlogP: 2.80244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.322566  Sterimol/B1: 2.42528  Sterimol/B2: 4.26524  Sterimol/B3: 5.35157
  Sterimol/B4: 6.44547  Sterimol/L: 11.634 
 
 Surface and Volume Properties
  Accessible surface: 492.473  Positive charged surface: 269.294  Negative charged surface: 223.179  Volume: 269.375
  Hydrophobic surface: 350.505  Hydrophilic surface: 141.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01233874
ENAMINE-ZINC00610918