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PUBCHEM-ZINC05715620

 MMsINC code: MMs03356763
Type: Neutral
Formula: C5H12NO4P
SMILES:   P(O)(O)(=O)CN(C(=O)C)CC
InChI:   InChI=1/C5H12NO4P/c1-3-6(5(2)7)4-11(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.3957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.97233  SlogP: -1.0802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167509  Sterimol/B1: 2.30514  Sterimol/B2: 2.88826  Sterimol/B3: 3.60243
  Sterimol/B4: 5.71221  Sterimol/L: 10.2661 
 
 Surface and Volume Properties
  Accessible surface: 351.748  Positive charged surface: 215.194  Negative charged surface: 136.554  Volume: 155.375
  Hydrophobic surface: 171.578  Hydrophilic surface: 180.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.