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ASINEX-ZINC00783853

 MMsINC code: MMs00162653
Type: Neutral
Formula: C18H18N2O4S
SMILES:   s1cccc1C(=O)N1CCC(CC1)C(=O)Nc1cc2OCOc2cc1
InChI:   InChI=1/C18H18N2O4S/c21-17(19-13-3-4-14-15(10-13)24-11-23-14)12-5-7-20(8-6-12)18(22)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=106.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.418 g/mol  logS: -3.49208  SlogP: 2.9677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297112  Sterimol/B1: 2.53808  Sterimol/B2: 3.15869  Sterimol/B3: 4.05183
  Sterimol/B4: 6.35359  Sterimol/L: 18.9562 
 
 Surface and Volume Properties
  Accessible surface: 583.026  Positive charged surface: 359.474  Negative charged surface: 223.552  Volume: 317.625
  Hydrophobic surface: 462.46  Hydrophilic surface: 120.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.