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ACROSORGANICS-ZINC02389357

 MMsINC code: MMs00013585
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(O)(O)(=O)C(N)(CC(C)C)C
InChI:   InChI=1/C6H16NO3P/c1-5(2)4-6(3,7)11(8,9)10/h5H,4,7H2,1-3H3,(H2,8,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=12.9364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: -0.55497  SlogP: -0.1851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232282  Sterimol/B1: 2.4162  Sterimol/B2: 3.61998  Sterimol/B3: 3.85976
  Sterimol/B4: 4.97511  Sterimol/L: 10.9642 
 
 Surface and Volume Properties
  Accessible surface: 354.808  Positive charged surface: 231.067  Negative charged surface: 123.741  Volume: 167.875
  Hydrophobic surface: 147.404  Hydrophilic surface: 207.404
 
 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.