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ENAMINE-ZINC02626435

 MMsINC code: MMs01259106
Type: Neutral
Formula: C6H11NO4S
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)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=16.5189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.223 g/mol  logS: -0.0228  SlogP: -0.505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262797  Sterimol/B1: 2.43011  Sterimol/B2: 4.39636  Sterimol/B3: 4.39654
  Sterimol/B4: 4.5058  Sterimol/L: 9.32838 
 
 Surface and Volume Properties
  Accessible surface: 353.638  Positive charged surface: 213.087  Negative charged surface: 140.551  Volume: 158.375
  Hydrophobic surface: 214.182  Hydrophilic surface: 139.456
 
 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


MMs01259107
ENAMINE-ZINC02626435