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PUBCHEM-ZINC05830299

 MMsINC code: MMs03405157
Type: Neutral
Formula: C2H8NO5P
SMILES:   P(O)(O)(=O)CC(O)NO
InChI:   InChI=1/C2H8NO5P/c4-2(3-5)1-9(6,7)8/h2-5H,1H2,(H2,6,7,8)/t2-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-36.8014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.062 g/mol  logS: 1.90604  SlogP: -2.6089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228687  Sterimol/B1: 2.1477  Sterimol/B2: 3.36576  Sterimol/B3: 3.3771
  Sterimol/B4: 3.98775  Sterimol/L: 9.57229 
 
 Surface and Volume Properties
  Accessible surface: 299.24  Positive charged surface: 177.89  Negative charged surface: 121.351  Volume: 114
  Hydrophobic surface: 60.8484  Hydrophilic surface: 238.3916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.