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PUBCHEM-ZINC04102301

 MMsINC code: MMs03091801
Type: Neutral
Formula: C3H8NO5P
SMILES:   P(OC(=O)C(N)C)(O)(O)=O
InChI:   InChI=1/C3H8NO5P/c1-2(4)3(5)9-10(6,7)8/h2H,4H2,1H3,(H2,6,7,8)/t2-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-53.7016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.073 g/mol  logS: 0.54032  SlogP: -2.1007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914241  Sterimol/B1: 2.17907  Sterimol/B2: 2.86175  Sterimol/B3: 3.54563
  Sterimol/B4: 4.63336  Sterimol/L: 10.2971 
 
 Surface and Volume Properties
  Accessible surface: 332.056  Positive charged surface: 194.801  Negative charged surface: 137.255  Volume: 126.125
  Hydrophobic surface: 74.753  Hydrophilic surface: 257.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.