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PUBCHEM-ZINC05765198

 MMsINC code: MMs03378749
Type: Neutral
Formula: C10H17N2O2PS
SMILES:   S(C)c1ccc(OP(=O)(N(C)C)N)cc1C
InChI:   InChI=1/C10H17N2O2PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,13)12(2)3/h5-7H,1-4H3,(H2,11,13)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=3.25939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.298 g/mol  logS: -2.09956  SlogP: 1.65392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722159  Sterimol/B1: 2.30448  Sterimol/B2: 3.42024  Sterimol/B3: 3.42827
  Sterimol/B4: 6.44316  Sterimol/L: 14.4121 
 
 Surface and Volume Properties
  Accessible surface: 467.679  Positive charged surface: 308.572  Negative charged surface: 159.108  Volume: 240.375
  Hydrophobic surface: 358.657  Hydrophilic surface: 109.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.