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ASINEX-ZINC00267718

 MMsINC code: MMs00103619
Type: Neutral
Formula: C17H14N2O3S
SMILES:   S(=O)(=O)(Nc1cccnc1)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C17H14N2O3S/c20-23(21,19-14-5-4-12-18-13-14)17-10-8-16(9-11-17)22-15-6-2-1-3-7-15/h1-13,19H

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Potential Energy
Epot(MMFF94)=75.5399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.376 g/mol  logS: -3.57129  SlogP: 3.6747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100598  Sterimol/B1: 2.81172  Sterimol/B2: 4.70171  Sterimol/B3: 4.81048
  Sterimol/B4: 5.33949  Sterimol/L: 15.2152 
 
 Surface and Volume Properties
  Accessible surface: 541.444  Positive charged surface: 308.143  Negative charged surface: 233.301  Volume: 291.125
  Hydrophobic surface: 445.765  Hydrophilic surface: 95.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.