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PUBCHEM-ZINC06068378

 MMsINC code: MMs03521280
Type: Neutral
Formula: C3H9NO3P-
SMILES:   P(=O)([O-])(C(N)CO)C
InChI:   InChI=1/C3H10NO3P/c1-8(6,7)3(4)2-5/h3,5H,2,4H2,1H3,(H,6,7)/p-1/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.1556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.083 g/mol  logS: 1.54729  SlogP: -2.5385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.419072  Sterimol/B1: 2.505  Sterimol/B2: 2.78229  Sterimol/B3: 4.36032
  Sterimol/B4: 4.36637  Sterimol/L: 8.10409 
 
 Surface and Volume Properties
  Accessible surface: 285.728  Positive charged surface: 171.147  Negative charged surface: 114.581  Volume: 113.625
  Hydrophobic surface: 115.68  Hydrophilic surface: 170.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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.