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NCID-ZINC05105842

 MMsINC code: MMs02442084
Type: Neutral
Formula: C6H14NO3P
SMILES:   P(OCC)(OCC)(=O)C1NC1
InChI:   InChI=1/C6H14NO3P/c1-3-9-11(8,10-4-2)6-5-7-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=36.6216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: -0.06231  SlogP: 0.1116  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115659  Sterimol/B1: 2.09048  Sterimol/B2: 2.56541  Sterimol/B3: 3.96866
  Sterimol/B4: 7.99791  Sterimol/L: 11.0948 
 
 Surface and Volume Properties
  Accessible surface: 398.848  Positive charged surface: 270.219  Negative charged surface: 128.63  Volume: 171.875
  Hydrophobic surface: 273.673  Hydrophilic surface: 125.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.