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PUBCHEM-ZINC05998007

 MMsINC code: MMs03482039
Type: Neutral
Formula: C5H9O4P
SMILES:   P(OCC#C)(OC)(OC)=O
InChI:   InChI=1/C5H9O4P/c1-4-5-9-10(6,7-2)8-3/h1H,5H2,2-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.097 g/mol  logS: -0.78459  SlogP: -0.033092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114824  Sterimol/B1: 2.40986  Sterimol/B2: 2.84577  Sterimol/B3: 3.52604
  Sterimol/B4: 5.46913  Sterimol/L: 11.5865 
 
 Surface and Volume Properties
  Accessible surface: 358.199  Positive charged surface: 221.313  Negative charged surface: 136.886  Volume: 146
  Hydrophobic surface: 268.319  Hydrophilic surface: 89.88
 
 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.