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NCID-ZINC01608045

 MMsINC code: MMs02259609
Type: Neutral
Formula: C3H8NO4P
SMILES:   [PH](O)(=O)CC(N)C(O)=O
InChI:   InChI=1/C3H8NO4P/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=4.92471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.074 g/mol  logS: 0.68983  SlogP: -2.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133632  Sterimol/B1: 2.54724  Sterimol/B2: 2.64873  Sterimol/B3: 3.32025
  Sterimol/B4: 4.21255  Sterimol/L: 10.1077 
 
 Surface and Volume Properties
  Accessible surface: 310.02  Positive charged surface: 171.441  Negative charged surface: 138.579  Volume: 119
  Hydrophobic surface: 75.7766  Hydrophilic surface: 234.2434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.