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NCID-ZINC01601818

 MMsINC code: MMs02254686
Type: Ionized
Formula: C5H10ClN2O4S-
SMILES:   ClCCNS(=O)(=O)CC(N)C(=O)[O-]
InChI:   InChI=1/C5H11ClN2O4S/c6-1-2-8-13(11,12)3-4(7)5(9)10/h4,8H,1-3,7H2,(H,9,10)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=9.32275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.664 g/mol  logS: -0.11193  SlogP: -2.7782  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0806355  Sterimol/B1: 2.82191  Sterimol/B2: 3.69442  Sterimol/B3: 3.81684
  Sterimol/B4: 4.70525  Sterimol/L: 12.9034 
 
 Surface and Volume Properties
  Accessible surface: 396.384  Positive charged surface: 182.243  Negative charged surface: 214.141  Volume: 175.375
  Hydrophobic surface: 104.494  Hydrophilic surface: 291.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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:


MMs02254685
NCID-ZINC01601818