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IFLAB-ZINC02696206

 MMsINC code: MMs01995063
Type: Neutral
Formula: C13H13NO4S
SMILES:   S(=O)(=O)(N)c1ccc(Oc2ccccc2OC)cc1
InChI:   InChI=1/C13H13NO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3,(H2,14,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.6031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.316 g/mol  logS: -3.44458  SlogP: 2.1349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644066  Sterimol/B1: 2.55988  Sterimol/B2: 3.62069  Sterimol/B3: 3.62724
  Sterimol/B4: 6.70903  Sterimol/L: 14.9081 
 
 Surface and Volume Properties
  Accessible surface: 491.475  Positive charged surface: 291.569  Negative charged surface: 199.907  Volume: 245.875
  Hydrophobic surface: 351.517  Hydrophilic surface: 139.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01995064
IFLAB-ZINC02696206