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PUBCHEM-ZINC06358148

 MMsINC code: MMs03684523
Type: Neutral
Formula: C5H14NO2P
SMILES:   [PH](O)(=O)C(N)CC(C)C
InChI:   InChI=1/C5H14NO2P/c1-4(2)3-5(6)9(7)8/h4-5,9H,3,6H2,1-2H3,(H,7,8)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=20.4201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.146 g/mol  logS: -0.75448  SlogP: -0.2859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272074  Sterimol/B1: 2.01987  Sterimol/B2: 2.77861  Sterimol/B3: 4.3461
  Sterimol/B4: 4.9077  Sterimol/L: 9.49049 
 
 Surface and Volume Properties
  Accessible surface: 336.994  Positive charged surface: 211.48  Negative charged surface: 125.514  Volume: 147.625
  Hydrophobic surface: 154.313  Hydrophilic surface: 182.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03684524
PUBCHEM-ZINC06358148