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ALFAAESAR-ZINC01756478

 MMsINC code: MMs00022141
Type: Neutral
Formula: C6H15O3P
SMILES:   P(O)(O)(=O)CCCCCC
InChI:   InChI=1/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-46.3599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -0.99566  SlogP: 0.6742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691615  Sterimol/B1: 2.92017  Sterimol/B2: 2.95793  Sterimol/B3: 3.44674
  Sterimol/B4: 3.4945  Sterimol/L: 13.5533 
 
 Surface and Volume Properties
  Accessible surface: 379.618  Positive charged surface: 260.319  Negative charged surface: 119.299  Volume: 160.375
  Hydrophobic surface: 219.717  Hydrophilic surface: 159.901
 
 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.