farnesyl diphosphate   

GtoPdb Ligand ID: 2910

Abbreviated name: FDP
Synonyms: farnesyl pyrophosphate (FPP)
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 132.91
Molecular weight 382.13
XLogP 1.89
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(CCC=C(C)C)C
Isomeric SMILES C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C
InChI InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
InChI Key VWFJDQUYCIWHTN-FBXUGWQNSA-N
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel