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ENAMINE-ZINC03343350

 MMsINC code: MMs01384501
Type: Neutral
Formula: C13H12N2O3S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(O)cc1)c1ccccc1
InChI:   InChI=1/C13H12N2O3S/c16-12-8-6-11(7-9-12)10-14-15-19(17,18)13-4-2-1-3-5-13/h1-10,15-16H/b14-10+

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Potential Energy
Epot(MMFF94)=77.4886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.316 g/mol  logS: -3.15069  SlogP: 1.7046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858615  Sterimol/B1: 2.44576  Sterimol/B2: 2.8987  Sterimol/B3: 5.01534
  Sterimol/B4: 6.68567  Sterimol/L: 13.7498 
 
 Surface and Volume Properties
  Accessible surface: 499.054  Positive charged surface: 258.316  Negative charged surface: 240.738  Volume: 244.25
  Hydrophobic surface: 336.92  Hydrophilic surface: 162.134
 
 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.