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PUBCHEM-ZINC05978377

 MMsINC code: MMs03473724
Type: Neutral
Formula: C12H28O3P+
SMILES:   [P+](OCCCC)(OCCCC)(O)CCCC
InChI:   InChI=1/C12H28O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h13H,4-12H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.6777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.327 g/mol  logS: -2.67246  SlogP: 4.1748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982761  Sterimol/B1: 2.48117  Sterimol/B2: 2.69739  Sterimol/B3: 5.33604
  Sterimol/B4: 7.86666  Sterimol/L: 17.0481 
 
 Surface and Volume Properties
  Accessible surface: 567.702  Positive charged surface: 432.496  Negative charged surface: 135.206  Volume: 273
  Hydrophobic surface: 437.437  Hydrophilic surface: 130.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.