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PUBCHEM-ZINC05684482

 MMsINC code: MMs03346842
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(N\N=C\c1ccc2c(cccc2)c1O)c1ccccc1
InChI:   InChI=1/C17H14N2O3S/c20-17-14(11-10-13-6-4-5-9-16(13)17)12-18-19-23(21,22)15-7-2-1-3-8-15/h1-12,19-20H/b18-12+

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Potential Energy
Epot(MMFF94)=106.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.376 g/mol  logS: -5.02857  SlogP: 2.8578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0801451  Sterimol/B1: 2.46347  Sterimol/B2: 2.61503  Sterimol/B3: 5.58411
  Sterimol/B4: 7.05065  Sterimol/L: 14.7674 
 
 Surface and Volume Properties
  Accessible surface: 552.502  Positive charged surface: 286.189  Negative charged surface: 254.268  Volume: 291.75
  Hydrophobic surface: 428.194  Hydrophilic surface: 124.308
 
 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.