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ASINEX-ZINC00259871

 MMsINC code: MMs00101605
Type: Neutral
Formula: C8H15NO4S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(O)=O)CC
InChI:   InChI=1/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=-6.04738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.277 g/mol  logS: -0.10649  SlogP: 0.1327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202781  Sterimol/B1: 2.38464  Sterimol/B2: 3.08448  Sterimol/B3: 4.23175
  Sterimol/B4: 4.96159  Sterimol/L: 12.1165 
 
 Surface and Volume Properties
  Accessible surface: 395.635  Positive charged surface: 258.882  Negative charged surface: 136.753  Volume: 192.75
  Hydrophobic surface: 224.88  Hydrophilic surface: 170.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00101606
ASINEX-ZINC00259871