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PUBCHEM-ZINC00387197

 MMsINC code: MMs02670632
Type: Neutral
Formula: C18H16N2O3S
SMILES:   S(=O)(=O)(NCc1ncccc1)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C18H16N2O3S/c21-24(22,20-14-15-6-4-5-13-19-15)18-11-9-17(10-12-18)23-16-7-2-1-3-8-16/h1-13,20H,14H2

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Potential Energy
Epot(MMFF94)=56.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.403 g/mol  logS: -3.66825  SlogP: 3.6188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422768  Sterimol/B1: 3.21115  Sterimol/B2: 4.17301  Sterimol/B3: 4.40488
  Sterimol/B4: 4.50477  Sterimol/L: 19.1074 
 
 Surface and Volume Properties
  Accessible surface: 589.515  Positive charged surface: 327.587  Negative charged surface: 261.927  Volume: 309.875
  Hydrophobic surface: 492.82  Hydrophilic surface: 96.695
 
 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: no related molecules available.