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ASINEX-ZINC00235839

 MMsINC code: MMs00095697
Type: Neutral
Formula: C18H15NO3S
SMILES:   S(=O)(=O)(Nc1cc(O)ccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C18H15NO3S/c20-17-8-4-7-16(13-17)19-23(21,22)18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13,19-20H

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Potential Energy
Epot(MMFF94)=70.3311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.388 g/mol  logS: -5.11115  SlogP: 3.86  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125466  Sterimol/B1: 3.61995  Sterimol/B2: 3.94419  Sterimol/B3: 4.07802
  Sterimol/B4: 6.84335  Sterimol/L: 14.4225 
 
 Surface and Volume Properties
  Accessible surface: 549.12  Positive charged surface: 262.905  Negative charged surface: 275.144  Volume: 297.375
  Hydrophobic surface: 417.842  Hydrophilic surface: 131.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.