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PUBCHEM-ZINC05828202

 MMsINC code: MMs03403753
Type: Neutral
Formula: C2H6NO5P
SMILES:   P(O)(O)(=O)CC(=O)NO
InChI:   InChI=1/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-27.8294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.046 g/mol  logS: 0.99703  SlogP: -2.4007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14612  Sterimol/B1: 2.2349  Sterimol/B2: 2.90248  Sterimol/B3: 3.48699
  Sterimol/B4: 4.1784  Sterimol/L: 10.0405 
 
 Surface and Volume Properties
  Accessible surface: 299.899  Positive charged surface: 157.198  Negative charged surface: 142.701  Volume: 108.375
  Hydrophobic surface: 41.5232  Hydrophilic surface: 258.3758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.