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PUBCHEM-ZINC02047505

 MMsINC code: MMs02865419
Type: Neutral
Formula: C4H12NO5P
SMILES:   P(O)(O)(=O)CCCN(O)CO
InChI:   InChI=1/C4H12NO5P/c6-4-5(7)2-1-3-11(8,9)10/h6-7H,1-4H2,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-31.4042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.116 g/mol  logS: 1.80392  SlogP: -1.875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0872986  Sterimol/B1: 3.20122  Sterimol/B2: 3.31371  Sterimol/B3: 3.35862
  Sterimol/B4: 3.45558  Sterimol/L: 12.2073 
 
 Surface and Volume Properties
  Accessible surface: 373.581  Positive charged surface: 246.9  Negative charged surface: 126.682  Volume: 151.75
  Hydrophobic surface: 122.508  Hydrophilic surface: 251.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.