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PUBCHEM-ZINC05113970

 MMsINC code: MMs03202056
Type: Neutral
Formula: C5H12NO4P
SMILES:   [PH](=O)(CCC(N)C(O)=O)CO
InChI:   InChI=1/C5H12NO4P/c6-4(5(8)9)1-2-11(10)3-7/h4,7,11H,1-3,6H2,(H,8,9)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.89448  SlogP: -1.7723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782243  Sterimol/B1: 2.9498  Sterimol/B2: 3.19982  Sterimol/B3: 3.50689
  Sterimol/B4: 4.09554  Sterimol/L: 12.462 
 
 Surface and Volume Properties
  Accessible surface: 376.125  Positive charged surface: 233.223  Negative charged surface: 142.902  Volume: 156.75
  Hydrophobic surface: 139.867  Hydrophilic surface: 236.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.