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APOLLO-ZINC00259768

 MMsINC code: MMs00048605
Type: Neutral
Formula: C7H13NO4S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(O)=O)C
InChI:   InChI=1/C7H13NO4S/c1-13(11,12)8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-2.52683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.25 g/mol  logS: 0.22072  SlogP: -0.2574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2447  Sterimol/B1: 1.969  Sterimol/B2: 3.40675  Sterimol/B3: 3.92328
  Sterimol/B4: 4.94845  Sterimol/L: 11.1982 
 
 Surface and Volume Properties
  Accessible surface: 369.342  Positive charged surface: 230.272  Negative charged surface: 139.07  Volume: 176.125
  Hydrophobic surface: 212.506  Hydrophilic surface: 156.836
 
 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


MMs00048606
APOLLO-ZINC00259768