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ENAMINE-ZINC04207298

 MMsINC code: MMs01534886
Type: Ionized
Formula: C7H14NO4S-
SMILES:   S(=O)(=O)(NCCCCCC(=O)[O-])C
InChI:   InChI=1/C7H15NO4S/c1-13(11,12)8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10)/p-1

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Potential Energy
Epot(MMFF94)=-16.4176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.258 g/mol  logS: -0.14252  SlogP: -1.1541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514653  Sterimol/B1: 2.33483  Sterimol/B2: 2.53076  Sterimol/B3: 4.20785
  Sterimol/B4: 4.30472  Sterimol/L: 14.8317 
 
 Surface and Volume Properties
  Accessible surface: 418.015  Positive charged surface: 238.643  Negative charged surface: 179.372  Volume: 183.375
  Hydrophobic surface: 222.971  Hydrophilic surface: 195.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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MMs01534885
ENAMINE-ZINC04207298