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ACROSORGANICS-ZINC04262492

 MMsINC code: MMs00017576
Type: Neutral
Formula: C7H15O3P
SMILES:   P(OCC)(OCC)(=O)\C=C\C
InChI:   InChI=1/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4,7H,5-6H2,1-3H3/b7-4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.24291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.168 g/mol  logS: -0.54573  SlogP: 1.7159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108196  Sterimol/B1: 2.07779  Sterimol/B2: 2.77146  Sterimol/B3: 4.42124
  Sterimol/B4: 8.03576  Sterimol/L: 11.7235 
 
 Surface and Volume Properties
  Accessible surface: 416.156  Positive charged surface: 274.694  Negative charged surface: 141.462  Volume: 176.25
  Hydrophobic surface: 297.032  Hydrophilic surface: 119.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.