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ACROSORGANICS-ZINC02573155

 MMsINC code: MMs00014718
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(O)(O)(=O)C(N)C(C)(C)C
InChI:   InChI=1/C5H14NO3P/c1-5(2,3)4(6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=18.4428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.57437  SlogP: -0.5752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.354677  Sterimol/B1: 1.99877  Sterimol/B2: 3.71724  Sterimol/B3: 3.82639
  Sterimol/B4: 4.71475  Sterimol/L: 9.80439 
 
 Surface and Volume Properties
  Accessible surface: 325.648  Positive charged surface: 213.432  Negative charged surface: 112.216  Volume: 152.125
  Hydrophobic surface: 123.98  Hydrophilic surface: 201.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.