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ASINEX-ZINC01431851

 MMsINC code: MMs00254571
Type: Neutral
Formula: C14H14N2O4S
SMILES:   S(=O)(=O)(NCc1occc1)c1cc2CC(=O)N(c2cc1)C
InChI:   InChI=1/C14H14N2O4S/c1-16-13-5-4-12(7-10(13)8-14(16)17)21(18,19)15-9-11-3-2-6-20-11/h2-7,15H,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=21.7719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.342 g/mol  logS: -3.0223  SlogP: 1.54337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123871  Sterimol/B1: 2.35372  Sterimol/B2: 3.73697  Sterimol/B3: 5.54392
  Sterimol/B4: 5.70414  Sterimol/L: 15.7851 
 
 Surface and Volume Properties
  Accessible surface: 523.6  Positive charged surface: 293.732  Negative charged surface: 229.867  Volume: 265.75
  Hydrophobic surface: 376.721  Hydrophilic surface: 146.879
 
 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.