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ACROSORGANICS-ZINC04283517

 MMsINC code: MMs00017885
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-/m0/s1

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Potential Energy
Epot(MMFF94)=19.1148 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: 0.276509  Sterimol/B1: 2.80721  Sterimol/B2: 3.36863  Sterimol/B3: 4.03781
  Sterimol/B4: 4.58902  Sterimol/L: 11.0126 
 
 Surface and Volume Properties
  Accessible surface: 358.857  Positive charged surface: 222.202  Negative charged surface: 136.655  Volume: 167.25
  Hydrophobic surface: 149.468  Hydrophilic surface: 209.389
 
 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.