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ASINEX-ZINC04992806

 MMsINC code: MMs00425021
Type: Neutral
Formula: C7H13NO4S
SMILES:   S(=O)(=O)(N1CCCCC1C(O)=O)C
InChI:   InChI=1/C7H13NO4S/c1-13(11,12)8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=33.3832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.25 g/mol  logS: -0.22457  SlogP: -0.1149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303203  Sterimol/B1: 2.11252  Sterimol/B2: 2.49547  Sterimol/B3: 4.36814
  Sterimol/B4: 6.02823  Sterimol/L: 8.86223 
 
 Surface and Volume Properties
  Accessible surface: 355.69  Positive charged surface: 227.693  Negative charged surface: 127.997  Volume: 172.125
  Hydrophobic surface: 228.564  Hydrophilic surface: 127.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00425022
ASINEX-ZINC04992806