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ASINEX-ZINC04393836

 MMsINC code: MMs00332655
Type: Neutral
Formula: C17H24N2O6S
SMILES:   S(=O)(=O)(N1CCN(CC1)CCOC(=O)CCC(O)=O)c1ccc(cc1)C
InChI:   InChI=1/C17H24N2O6S/c1-14-2-4-15(5-3-14)26(23,24)19-10-8-18(9-11-19)12-13-25-17(22)7-6-16(20)21/h2-5H,6-13H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=56.3345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.453 g/mol  logS: -1.98694  SlogP: 0.70932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0736747  Sterimol/B1: 2.84135  Sterimol/B2: 3.44587  Sterimol/B3: 4.05422
  Sterimol/B4: 8.73412  Sterimol/L: 17.7401 
 
 Surface and Volume Properties
  Accessible surface: 657.893  Positive charged surface: 433.651  Negative charged surface: 224.241  Volume: 346.5
  Hydrophobic surface: 467.598  Hydrophilic surface: 190.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.