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ENAMINE-ZINC02626434

 MMsINC code: MMs01259105
Type: Ionized
Formula: C6H10NO4S-
SMILES:   S(=O)(=O)(N1CCCC1C(=O)[O-])C
InChI:   InChI=1/C6H11NO4S/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/p-1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=26.8629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.215 g/mol  logS: -0.28325  SlogP: -1.8397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303223  Sterimol/B1: 2.28348  Sterimol/B2: 3.69369  Sterimol/B3: 4.39639
  Sterimol/B4: 5.001  Sterimol/L: 9.14881 
 
 Surface and Volume Properties
  Accessible surface: 345.024  Positive charged surface: 179.048  Negative charged surface: 165.976  Volume: 157.25
  Hydrophobic surface: 196.198  Hydrophilic surface: 148.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01259104
ENAMINE-ZINC02626434