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ALFAAESAR-ZINC01670658

 MMsINC code: MMs00021689
Type: Neutral
Formula: C4H11O3P
SMILES:   P(O)(O)(=O)CCCC
InChI:   InChI=1/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-46.3568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: 0.03478  SlogP: -0.106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119105  Sterimol/B1: 3.0375  Sterimol/B2: 3.08573  Sterimol/B3: 3.45923
  Sterimol/B4: 3.48264  Sterimol/L: 11.05 
 
 Surface and Volume Properties
  Accessible surface: 318.585  Positive charged surface: 206.005  Negative charged surface: 112.58  Volume: 124.75
  Hydrophobic surface: 158.685  Hydrophilic surface: 159.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.