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NCID-ZINC01674852

 MMsINC code: MMs02310270
Type: Neutral
Formula: C4H11O4P
SMILES:   P(OC)(OC)(=O)COC
InChI:   InChI=1/C4H11O4P/c1-6-4-9(5,7-2)8-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.9865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.54048  SlogP: 0.006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104384  Sterimol/B1: 2.52374  Sterimol/B2: 3.6745  Sterimol/B3: 3.96042
  Sterimol/B4: 4.36228  Sterimol/L: 10.114 
 
 Surface and Volume Properties
  Accessible surface: 328.87  Positive charged surface: 277.573  Negative charged surface: 51.2977  Volume: 136.25
  Hydrophobic surface: 276.023  Hydrophilic surface: 52.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.