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ENAMINE-ZINC03214705

 MMsINC code: MMs01309077
Type: Neutral
Formula: C18H16N2O3S
SMILES:   S(=O)(=O)(\N=C\Nc1c2c(cccc2)c(O)cc1)c1ccc(cc1)C
InChI:   InChI=1/C18H16N2O3S/c1-13-6-8-14(9-7-13)24(22,23)20-12-19-17-10-11-18(21)16-5-3-2-4-15(16)17/h2-12,21H,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=81.8693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.403 g/mol  logS: -5.61482  SlogP: 3.68292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846307  Sterimol/B1: 3.16246  Sterimol/B2: 3.39896  Sterimol/B3: 4.10139
  Sterimol/B4: 7.23995  Sterimol/L: 16.1494 
 
 Surface and Volume Properties
  Accessible surface: 570.615  Positive charged surface: 309.744  Negative charged surface: 251.103  Volume: 307.5
  Hydrophobic surface: 432.081  Hydrophilic surface: 138.534
 
 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.