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NCID-ZINC01720915

 MMsINC code: MMs02345818
Type: Ionized
Formula: C4H9NO5P-
SMILES:   P(O)(O)(=O)C(N)CCC(=O)[O-]
InChI:   InChI=1/C4H10NO5P/c5-3(11(8,9)10)1-2-4(6)7/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/p-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-17.5284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.092 g/mol  logS: 1.16691  SlogP: -3.0912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13748  Sterimol/B1: 3.05777  Sterimol/B2: 3.18952  Sterimol/B3: 3.55508
  Sterimol/B4: 4.97978  Sterimol/L: 10.5373 
 
 Surface and Volume Properties
  Accessible surface: 337.029  Positive charged surface: 182.259  Negative charged surface: 154.771  Volume: 139.25
  Hydrophobic surface: 66.2245  Hydrophilic surface: 270.8045
 
 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:


MMs02345817
NCID-ZINC01720915