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NCID-ZINC01608046

 MMsINC code: MMs02259610
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-/m1/s1

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Potential Energy
Epot(MMFF94)=3.09043 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: 0.135383  Sterimol/B1: 2.53215  Sterimol/B2: 2.55156  Sterimol/B3: 3.85279
  Sterimol/B4: 4.24117  Sterimol/L: 10.1504 
 
 Surface and Volume Properties
  Accessible surface: 305.775  Positive charged surface: 161.07  Negative charged surface: 144.704  Volume: 119.75
  Hydrophobic surface: 67.8964  Hydrophilic surface: 237.8786
 
 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


MMs02259611
NCID-ZINC01608046