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PUBCHEM-ZINC05525247

 MMsINC code: MMs03297296
Type: Neutral
Formula: C5H12NO4P
SMILES:   P(O)(=O)(CN(CC(O)=O)C)C
InChI:   InChI=1/C5H12NO4P/c1-6(3-5(7)8)4-11(2,9)10/h3-4H2,1-2H3,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=45.4797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 1.38913  SlogP: -1.2097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180011  Sterimol/B1: 2.16634  Sterimol/B2: 2.36459  Sterimol/B3: 4.16354
  Sterimol/B4: 5.00282  Sterimol/L: 11.53 
 
 Surface and Volume Properties
  Accessible surface: 357.27  Positive charged surface: 244.733  Negative charged surface: 112.537  Volume: 157.375
  Hydrophobic surface: 168.629  Hydrophilic surface: 188.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03297297
PUBCHEM-ZINC05525247