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PUBCHEM-ZINC01529861

 MMsINC code: MMs02813108
Type: Ionized
Formula: C3H9NO4P-
SMILES:   P(OC(C[NH3+])C)(=O)([O-])[O-]
InChI:   InChI=1/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/p-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-76.9394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.082 g/mol  logS: 0.6872  SlogP: -3.6081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198519  Sterimol/B1: 2.85386  Sterimol/B2: 2.91934  Sterimol/B3: 3.94643
  Sterimol/B4: 4.22422  Sterimol/L: 8.47725 
 
 Surface and Volume Properties
  Accessible surface: 302.458  Positive charged surface: 172.571  Negative charged surface: 129.887  Volume: 119
  Hydrophobic surface: 104.976  Hydrophilic surface: 197.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 1
  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:


MMs02813107
PUBCHEM-ZINC01529861