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PUBCHEM-ZINC05764928

 MMsINC code: MMs03378452
Type: Neutral
Formula: C5H10N2O2PS+
SMILES:   S(P(O)(=O)n1cc[n+](c1)C)C
InChI:   InChI=1/C5H9N2O2PS/c1-6-3-4-7(5-6)10(8,9)11-2/h3-5H,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-25.7348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.187 g/mol  logS: -0.38955  SlogP: -0.0869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483719  Sterimol/B1: 2.62298  Sterimol/B2: 3.24056  Sterimol/B3: 3.81937
  Sterimol/B4: 4.17667  Sterimol/L: 12.444 
 
 Surface and Volume Properties
  Accessible surface: 372.843  Positive charged surface: 262.889  Negative charged surface: 109.955  Volume: 164.75
  Hydrophobic surface: 186.995  Hydrophilic surface: 185.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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: no related molecules available.