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ENAMINE-ZINC03220241

 MMsINC code: MMs01312935
Type: Neutral
Formula: C18H15NO5S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc(C(OCc2ccccc2)=O)c(O)cc1
InChI:   InChI=1/C18H15NO5S2/c20-16-9-8-14(19-26(22,23)17-7-4-10-25-17)11-15(16)18(21)24-12-13-5-2-1-3-6-13/h1-11,19-20H,12H2

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Potential Energy
Epot(MMFF94)=77.2685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.452 g/mol  logS: -4.79941  SlogP: 3.8779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149193  Sterimol/B1: 3.87859  Sterimol/B2: 4.10622  Sterimol/B3: 4.97624
  Sterimol/B4: 7.70675  Sterimol/L: 14.5412 
 
 Surface and Volume Properties
  Accessible surface: 627.839  Positive charged surface: 312.74  Negative charged surface: 315.1  Volume: 331.25
  Hydrophobic surface: 465.496  Hydrophilic surface: 162.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.