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PUBCHEM-ZINC05973741

 MMsINC code: MMs03469339
Type: Neutral
Formula: C14H31O2P
SMILES:   P(CCCC)(CCCC)(CCCC)CC(O)=O
InChI:   InChI=1/C14H31O2P/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16/h17H,4-13H2,1-3H3,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.374 g/mol  logS: -2.73075  SlogP: 4.2212  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.202843  Sterimol/B1: 2.44388  Sterimol/B2: 3.88406  Sterimol/B3: 4.20694
  Sterimol/B4: 10.4459  Sterimol/L: 14.7518 
 
 Surface and Volume Properties
  Accessible surface: 556.613  Positive charged surface: 415.331  Negative charged surface: 141.282  Volume: 297.125
  Hydrophobic surface: 404.858  Hydrophilic surface: 151.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03469340
PUBCHEM-ZINC05973741