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ASINEX-ZINC06680816

 MMsINC code: MMs00444519
Type: Neutral
Formula: C15H16N2O5S2
SMILES:   s1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1O
InChI:   InChI=1/C15H16N2O5S2/c18-13-4-2-1-3-12(13)16-15(19)14-9-11(10-23-14)24(20,21)17-5-7-22-8-6-17/h1-4,9-10,18H,5-8H2,(H,16,19)

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Potential Energy
Epot(MMFF94)=77.3092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.434 g/mol  logS: -3.00463  SlogP: 1.7269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318008  Sterimol/B1: 2.56312  Sterimol/B2: 3.05048  Sterimol/B3: 4.44842
  Sterimol/B4: 6.55284  Sterimol/L: 17.4541 
 
 Surface and Volume Properties
  Accessible surface: 574.819  Positive charged surface: 333.4  Negative charged surface: 241.419  Volume: 307.375
  Hydrophobic surface: 425.995  Hydrophilic surface: 148.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.