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PUBCHEM-ZINC03115754

 MMsINC code: MMs02995840
Type: Ionized
Formula: C4H9NO4P-
SMILES:   P(=O)([O-])(CCC(=O)[O-])C[NH3+]
InChI:   InChI=1/C4H10NO4P/c5-3-10(8,9)2-1-4(6)7/h1-3,5H2,(H,6,7)(H,8,9)/p-1

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Potential Energy
Epot(MMFF94)=-4.71375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.093 g/mol  logS: 1.40616  SlogP: -4.106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131854  Sterimol/B1: 2.86171  Sterimol/B2: 3.18436  Sterimol/B3: 3.43337
  Sterimol/B4: 3.92317  Sterimol/L: 11.2198 
 
 Surface and Volume Properties
  Accessible surface: 329.767  Positive charged surface: 194.239  Negative charged surface: 135.528  Volume: 132.125
  Hydrophobic surface: 91.6842  Hydrophilic surface: 238.0828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs02995839
PUBCHEM-ZINC03115754