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APOLLO-ZINC00259768

 MMsINC code: MMs00048606
Type: Ionized
Formula: C7H12NO4S-
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)/p-1

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Potential Energy
Epot(MMFF94)=-0.236962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.242 g/mol  logS: -0.03973  SlogP: -1.5921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.35932  Sterimol/B1: 2.0336  Sterimol/B2: 3.4729  Sterimol/B3: 3.91552
  Sterimol/B4: 5.1868  Sterimol/L: 10.5852 
 
 Surface and Volume Properties
  Accessible surface: 356.979  Positive charged surface: 199.191  Negative charged surface: 157.788  Volume: 173
  Hydrophobic surface: 204.099  Hydrophilic surface: 152.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00048605
APOLLO-ZINC00259768