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PUBCHEM-ZINC06031956

 MMsINC code: MMs03504625
Type: Neutral
Formula: C4H9NO4P-
SMILES:   [PH](O)(=O)C(N)(CC(=O)[O-])C
InChI:   InChI=1/C4H10NO4P/c1-4(5,10(8)9)2-3(6)7/h10H,2,5H2,1H3,(H,6,7)(H,8,9)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.40152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.093 g/mol  logS: 0.16429  SlogP: -2.8019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.394254  Sterimol/B1: 2.37131  Sterimol/B2: 3.47939  Sterimol/B3: 3.84458
  Sterimol/B4: 5.2796  Sterimol/L: 9.45427 
 
 Surface and Volume Properties
  Accessible surface: 311.292  Positive charged surface: 158.328  Negative charged surface: 152.963  Volume: 133.375
  Hydrophobic surface: 92.0126  Hydrophilic surface: 219.2794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  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.