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PUBCHEM-ZINC05862343

 MMsINC code: MMs03422416
Type: Neutral
Formula: C11H19N2O3PS
SMILES:   S(CC)c1nc(cc(OP(OCC)(=O)CC)n1)C
InChI:   InChI=1/C11H19N2O3PS/c1-5-15-17(14,6-2)16-10-8-9(4)12-11(13-10)18-7-3/h8H,5-7H2,1-4H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.03393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.324 g/mol  logS: -3.44574  SlogP: 2.45512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609473  Sterimol/B1: 2.36072  Sterimol/B2: 3.94366  Sterimol/B3: 4.29697
  Sterimol/B4: 7.37128  Sterimol/L: 14.5903 
 
 Surface and Volume Properties
  Accessible surface: 535.228  Positive charged surface: 346.567  Negative charged surface: 188.661  Volume: 269.5
  Hydrophobic surface: 370.171  Hydrophilic surface: 165.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.