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PUBCHEM-ZINC05862216

 MMsINC code: MMs03422358
Type: Neutral
Formula: C11H26NO2P
SMILES:   P(OCCN(C(C)C)C(C)C)(OCC)C
InChI:   InChI=1/C11H26NO2P/c1-7-13-15(6)14-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.6254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.308 g/mol  logS: -1.2948  SlogP: 3.1  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.122198  Sterimol/B1: 2.35669  Sterimol/B2: 3.14568  Sterimol/B3: 4.76317
  Sterimol/B4: 6.50376  Sterimol/L: 14.5334 
 
 Surface and Volume Properties
  Accessible surface: 489.098  Positive charged surface: 378.176  Negative charged surface: 110.922  Volume: 254.25
  Hydrophobic surface: 398.647  Hydrophilic surface: 90.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03422359
PUBCHEM-ZINC05862216