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NCID-ZINC01680235

 MMsINC code: MMs02314565
Type: Neutral
Formula: C8H19O3P
SMILES:   [PH](OCC(C)C)(OCC(C)C)=O
InChI:   InChI=1/C8H19O3P/c1-7(2)5-10-12(9)11-6-8(3)4/h7-8,12H,5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.55863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.68421  SlogP: 1.6511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786249  Sterimol/B1: 2.71616  Sterimol/B2: 3.64847  Sterimol/B3: 3.80745
  Sterimol/B4: 3.94072  Sterimol/L: 14.4295 
 
 Surface and Volume Properties
  Accessible surface: 450.057  Positive charged surface: 303.948  Negative charged surface: 146.108  Volume: 200
  Hydrophobic surface: 321.27  Hydrophilic surface: 128.787
 
 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.