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ALFAAESAR-ZINC02039561

 MMsINC code: MMs00022491
Type: Neutral
Formula: C7H17O3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C
InChI:   InChI=1/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.1224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.184 g/mol  logS: -0.92022  SlogP: 1.5891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152161  Sterimol/B1: 2.13529  Sterimol/B2: 2.90294  Sterimol/B3: 4.19374
  Sterimol/B4: 6.73331  Sterimol/L: 11.5048 
 
 Surface and Volume Properties
  Accessible surface: 409.334  Positive charged surface: 273.456  Negative charged surface: 135.879  Volume: 181.125
  Hydrophobic surface: 272.316  Hydrophilic surface: 137.018
 
 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.