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PUBCHEM-ZINC05377183

 MMsINC code: MMs03250673
Type: Neutral
Formula: C3H5O2P
SMILES:   [PH](O)(=O)C=C=C
InChI:   InChI=1/C3H5O2P/c1-2-3-6(4)5/h3,6H,1H2,(H,4,5)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.0908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 104.045 g/mol  logS: 0.2271  SlogP: -0.3182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893761  Sterimol/B1: 2.50064  Sterimol/B2: 2.88218  Sterimol/B3: 2.98205
  Sterimol/B4: 3.50206  Sterimol/L: 9.42361 
 
 Surface and Volume Properties
  Accessible surface: 271.434  Positive charged surface: 104.175  Negative charged surface: 167.259  Volume: 93
  Hydrophobic surface: 110.925  Hydrophilic surface: 160.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.