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ASINEX-ZINC00134130

 MMsINC code: MMs00080773
Type: Neutral
Formula: C15H20N2O5S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)CCC(O)=O)cc1
InChI:   InChI=1/C15H20N2O5S/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)23(21,22)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2,(H,16,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=27.1272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.4 g/mol  logS: -2.01436  SlogP: 1.6645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041143  Sterimol/B1: 3.68549  Sterimol/B2: 3.76529  Sterimol/B3: 4.02056
  Sterimol/B4: 4.83568  Sterimol/L: 19.2874 
 
 Surface and Volume Properties
  Accessible surface: 574.169  Positive charged surface: 369.565  Negative charged surface: 204.604  Volume: 300.375
  Hydrophobic surface: 382.494  Hydrophilic surface: 191.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00080774
ASINEX-ZINC00134130