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ACROSORGANICS-ZINC01641070

 MMsINC code: MMs00010088
Type: Neutral
Formula: C8H19O3P
SMILES:   [PH](OCCCC)(OCCCC)=O
InChI:   InChI=1/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.09934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -2.31111  SlogP: 1.9393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264588  Sterimol/B1: 2.27175  Sterimol/B2: 2.54928  Sterimol/B3: 3.06067
  Sterimol/B4: 4.85753  Sterimol/L: 17.1139 
 
 Surface and Volume Properties
  Accessible surface: 463.507  Positive charged surface: 326.944  Negative charged surface: 136.564  Volume: 202.25
  Hydrophobic surface: 361.481  Hydrophilic surface: 102.026
 
 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.