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PUBCHEM-ZINC01995633

 MMsINC code: MMs02838822
Type: Ionized
Formula: C4H9NO5P-
SMILES:   P(O)(O)(=O)C(N)(CC(=O)[O-])C
InChI:   InChI=1/C4H10NO5P/c1-4(5,2-3(6)7)11(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-36.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.092 g/mol  logS: 0.86624  SlogP: -3.0912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.374088  Sterimol/B1: 2.05851  Sterimol/B2: 3.25518  Sterimol/B3: 3.85154
  Sterimol/B4: 4.9455  Sterimol/L: 10.2381 
 
 Surface and Volume Properties
  Accessible surface: 318.29  Positive charged surface: 156.922  Negative charged surface: 161.368  Volume: 137.75
  Hydrophobic surface: 70.6214  Hydrophilic surface: 247.6686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs02838821
PUBCHEM-ZINC01995633