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PUBCHEM-ZINC05289945

 MMsINC code: MMs03233846
Type: Neutral
Formula: C6H14NO3P
SMILES:   P(O)(O)(=O)NC1CCCCC1
InChI:   InChI=1/C6H14NO3P/c8-11(9,10)7-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-85.7485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: -0.08945  SlogP: -0.0688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195542  Sterimol/B1: 3.08182  Sterimol/B2: 3.2085  Sterimol/B3: 3.50852
  Sterimol/B4: 4.20523  Sterimol/L: 10.7833 
 
 Surface and Volume Properties
  Accessible surface: 353.653  Positive charged surface: 231.749  Negative charged surface: 121.904  Volume: 159.75
  Hydrophobic surface: 199.547  Hydrophilic surface: 154.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.