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PUBCHEM-ZINC02560595

 MMsINC code: MMs02901099
Type: Neutral
Formula: C10H23O3P
SMILES:   P(OCCCC)(OCCCC)(=O)CC
InChI:   InChI=1/C10H23O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.08899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.265 g/mol  logS: -2.02699  SlogP: 2.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104502  Sterimol/B1: 2.51837  Sterimol/B2: 2.58141  Sterimol/B3: 4.69004
  Sterimol/B4: 8.65238  Sterimol/L: 13.8249 
 
 Surface and Volume Properties
  Accessible surface: 505.637  Positive charged surface: 376.161  Negative charged surface: 129.475  Volume: 235.75
  Hydrophobic surface: 402.982  Hydrophilic surface: 102.655
 
 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.