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PUBCHEM-ZINC03115756

 MMsINC code: MMs02995841
Type: Neutral
Formula: C6H14NO3P
SMILES:   P(O)(=O)(CN1CCOCC1)C
InChI:   InChI=1/C6H14NO3P/c1-11(8,9)6-7-2-4-10-5-3-7/h2-6H2,1H3,(H,8,9)

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Potential Energy
Epot(MMFF94)=47.2889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: 1.09349  SlogP: -0.8939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156473  Sterimol/B1: 2.93712  Sterimol/B2: 3.42761  Sterimol/B3: 3.92596
  Sterimol/B4: 3.99483  Sterimol/L: 11.0471 
 
 Surface and Volume Properties
  Accessible surface: 366.821  Positive charged surface: 287.356  Negative charged surface: 79.4646  Volume: 164.75
  Hydrophobic surface: 259.18  Hydrophilic surface: 107.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02995842
PUBCHEM-ZINC03115756