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ENAMINE-ZINC02655945

 MMsINC code: MMs01278908
Type: Neutral
Formula: C13H12N2O4S
SMILES:   S(=O)(=O)(N\N=C\c1cccc(O)c1O)c1ccccc1
InChI:   InChI=1/C13H12N2O4S/c16-12-8-4-5-10(13(12)17)9-14-15-20(18,19)11-6-2-1-3-7-11/h1-9,15-17H/b14-9+

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Potential Energy
Epot(MMFF94)=93.5708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.315 g/mol  logS: -2.78874  SlogP: 1.4102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104335  Sterimol/B1: 2.64497  Sterimol/B2: 2.75472  Sterimol/B3: 5.27117
  Sterimol/B4: 6.52852  Sterimol/L: 13.4589 
 
 Surface and Volume Properties
  Accessible surface: 501.422  Positive charged surface: 277.295  Negative charged surface: 224.126  Volume: 250.75
  Hydrophobic surface: 323.239  Hydrophilic surface: 178.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.