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PUBCHEM-ZINC05835909

 MMsINC code: MMs03407972
Type: Neutral
Formula: C13H28NO4P
SMILES:   P(OCCC)(OCCC)(OCCN1CCCCC1)=O
InChI:   InChI=1/C13H28NO4P/c1-3-11-16-19(15,17-12-4-2)18-13-10-14-8-6-5-7-9-14/h3-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.678254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.344 g/mol  logS: -1.57594  SlogP: 2.38  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884781  Sterimol/B1: 2.2113  Sterimol/B2: 3.44541  Sterimol/B3: 4.35746
  Sterimol/B4: 9.78391  Sterimol/L: 14.4863 
 
 Surface and Volume Properties
  Accessible surface: 596.783  Positive charged surface: 464.859  Negative charged surface: 131.924  Volume: 296.5
  Hydrophobic surface: 501.553  Hydrophilic surface: 95.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03407973
PUBCHEM-ZINC05835909