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PUBCHEM-ZINC06691874

 MMsINC code: MMs03839429
Type: Neutral
Formula: C5H10NO4P
SMILES:   [PH](O)(=O)C(=O)N1CCOCC1
InChI:   InChI=1/C5H10NO4P/c7-5(11(8)9)6-1-3-10-4-2-6/h11H,1-4H2,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.112 g/mol  logS: -0.03699  SlogP: -1.1646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152981  Sterimol/B1: 2.55153  Sterimol/B2: 2.98019  Sterimol/B3: 3.70322
  Sterimol/B4: 5.3274  Sterimol/L: 10.201 
 
 Surface and Volume Properties
  Accessible surface: 334.241  Positive charged surface: 218.423  Negative charged surface: 115.818  Volume: 144.25
  Hydrophobic surface: 195.489  Hydrophilic surface: 138.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.