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NCID-ZINC01726410

 MMsINC code: MMs02350106
Type: Neutral
Formula: C5H14NO4P
SMILES:   P(OC)(OC)(=O)NCCOC
InChI:   InChI=1/C5H14NO4P/c1-8-5-4-6-11(7,9-2)10-3/h4-5H2,1-3H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.6993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.144 g/mol  logS: 0.54869  SlogP: -0.4469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106039  Sterimol/B1: 2.81852  Sterimol/B2: 3.3382  Sterimol/B3: 3.60941
  Sterimol/B4: 5.75244  Sterimol/L: 11.3863 
 
 Surface and Volume Properties
  Accessible surface: 389.908  Positive charged surface: 329.639  Negative charged surface: 60.2695  Volume: 167
  Hydrophobic surface: 316.562  Hydrophilic surface: 73.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.