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NCID-ZINC01868629

 MMsINC code: MMs02375680
Type: Neutral
Formula: C6H14NO3P
SMILES:   P1(OC(CC(O1)C)C)(=O)NC
InChI:   InChI=1/C6H14NO3P/c1-5-4-6(2)10-11(8,7-3)9-5/h5-6H,4H2,1-3H3,(H,7,8)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-23.3311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: -0.3137  SlogP: 0.4576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253889  Sterimol/B1: 1.9761  Sterimol/B2: 3.55451  Sterimol/B3: 3.56193
  Sterimol/B4: 6.83292  Sterimol/L: 10.055 
 
 Surface and Volume Properties
  Accessible surface: 351.812  Positive charged surface: 256.215  Negative charged surface: 95.5975  Volume: 162.5
  Hydrophobic surface: 229.046  Hydrophilic surface: 122.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.