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CHEMDIV-ZINC00137551

 MMsINC code: MMs00834418
Type: Neutral
Formula: C18H16N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)Cc2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C18H16N2O3S/c19-24(22,23)16-10-8-15(9-11-16)20-18(21)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,20,21)(H2,19,22,23)

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Potential Energy
Epot(MMFF94)=65.8307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.403 g/mol  logS: -5.52083  SlogP: 2.66837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102627  Sterimol/B1: 2.54742  Sterimol/B2: 3.72745  Sterimol/B3: 4.74916
  Sterimol/B4: 7.22144  Sterimol/L: 16.572 
 
 Surface and Volume Properties
  Accessible surface: 574.655  Positive charged surface: 300.197  Negative charged surface: 265.617  Volume: 305.75
  Hydrophobic surface: 410.629  Hydrophilic surface: 164.026
 
 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


MMs00834419
CHEMDIV-ZINC00137551