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ALFAAESAR-ZINC00161708

 MMsINC code: MMs00020465
Type: Neutral
Formula: C6H15PS
SMILES:   S=P(CC)(CC)CC
InChI:   InChI=1/C6H15PS/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.226 g/mol  logS: -1.33717  SlogP: 2.5256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192184  Sterimol/B1: 3.51007  Sterimol/B2: 3.97153  Sterimol/B3: 3.97667
  Sterimol/B4: 4.45935  Sterimol/L: 9.94151 
 
 Surface and Volume Properties
  Accessible surface: 335.33  Positive charged surface: 213.373  Negative charged surface: 121.957  Volume: 159.75
  Hydrophobic surface: 232.202  Hydrophilic surface: 103.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.