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ALFAAESAR-ZINC04352559

 MMsINC code: MMs00024763
Type: Neutral
Formula: C8H19O3P
SMILES:   [PH](OC(C)(C)C)(OC(C)(C)C)=O
InChI:   InChI=1/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h12H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -2.18597  SlogP: 1.9361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144456  Sterimol/B1: 2.19707  Sterimol/B2: 2.77308  Sterimol/B3: 4.19604
  Sterimol/B4: 4.79407  Sterimol/L: 12.2522 
 
 Surface and Volume Properties
  Accessible surface: 415.229  Positive charged surface: 269.092  Negative charged surface: 146.138  Volume: 196.375
  Hydrophobic surface: 273.688  Hydrophilic surface: 141.541
 
 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.