Drug ID:   | NPD7756 |
Drug Name:   | |
Molecular Formula:   | C32H55FN3O9P |
Canonical SMILES:   | CCCCCCCC/C=C/CCCCCCCC(=O)OC1CC(OC1COP(=O)(OCC[N+](C)(C)C)[O-])n1cc(F)c(nc1=O)O |
Standard InCHI:   | InChI=1S/C32H55FN3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(37)45-27-23-29(35-24-26(33)31(38)34-32(35)39)44-28(27)25-43-46(40,41)42-22-21-36(2,3)4/h12-13,24,27-29H,5-11,14-23,25H2,1-4H3,(H-,34,38,39,40,41)/b13-12+ |
Standard InCHIKey:   | JLGWAGKPIWGUEH-OUKQBFOZSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Intermediate Similarity | 0.7018 | NPC17892 |
Intermediate Similarity | 0.7018 | NPC36985 |
Remote Similarity | 0.6957 | NPC73765 |
Remote Similarity | 0.6957 | NPC283698 |
Remote Similarity | 0.6947 | NPC284651 |
Remote Similarity | 0.6903 | NPC324390 |
Remote Similarity | 0.687 | NPC324516 |
Remote Similarity | 0.687 | NPC318166 |
Remote Similarity | 0.6842 | NPC320249 |
Remote Similarity | 0.6842 | NPC322594 |
Remote Similarity | 0.6842 | NPC327344 |
Remote Similarity | 0.6829 | NPC155087 |
Remote Similarity | 0.6829 | NPC149843 |
Remote Similarity | 0.6818 | NPC178758 |
Remote Similarity | 0.6818 | NPC196102 |
Remote Similarity | 0.6667 | NPC317639 |
Remote Similarity | 0.6667 | NPC329277 |
Remote Similarity | 0.6667 | NPC171116 |
Remote Similarity | 0.6574 | NPC325936 |
Remote Similarity | 0.6541 | NPC273185 |
Remote Similarity | 0.6496 | NPC313962 |
Remote Similarity | 0.6484 | NPC478024 |
Remote Similarity | 0.6429 | NPC318142 |
Remote Similarity | 0.6404 | NPC43246 |
Remote Similarity | 0.6404 | NPC89051 |
Remote Similarity | 0.6348 | NPC210456 |
Remote Similarity | 0.6348 | NPC163352 |
Remote Similarity | 0.6325 | NPC39290 |
Remote Similarity | 0.6325 | NPC159369 |
Remote Similarity | 0.6283 | NPC106780 |
Remote Similarity | 0.6277 | NPC315058 |
Remote Similarity | 0.6228 | NPC71339 |
Remote Similarity | 0.6228 | NPC112842 |
Remote Similarity | 0.6154 | NPC476875 |
Remote Similarity | 0.6103 | NPC315188 |
Remote Similarity | 0.6063 | NPC74035 |
Remote Similarity | 0.604 | NPC142761 |
Remote Similarity | 0.6034 | NPC325723 |
Remote Similarity | 0.6014 | NPC325750 |
Remote Similarity | 0.5966 | NPC315063 |
Remote Similarity | 0.5949 | NPC327517 |
Remote Similarity | 0.5949 | NPC317377 |
Remote Similarity | 0.5949 | NPC321485 |
Remote Similarity | 0.5949 | NPC322372 |
Remote Similarity | 0.5949 | NPC319334 |
Remote Similarity | 0.5929 | NPC474833 |
Remote Similarity | 0.592 | NPC328914 |
Remote Similarity | 0.5913 | NPC82799 |
Remote Similarity | 0.5909 | NPC305223 |
Remote Similarity | 0.5887 | NPC328779 |
Remote Similarity | 0.5886 | NPC316244 |
Remote Similarity | 0.5859 | NPC476877 |
Remote Similarity | 0.5854 | NPC280946 |
Remote Similarity | 0.5854 | NPC226769 |
Remote Similarity | 0.5854 | NPC6166 |
Remote Similarity | 0.5833 | NPC314050 |
Remote Similarity | 0.5833 | NPC320663 |
Remote Similarity | 0.5833 | NPC261730 |
Remote Similarity | 0.5833 | NPC251122 |
Remote Similarity | 0.5833 | NPC224700 |
Remote Similarity | 0.5833 | NPC315809 |
Remote Similarity | 0.5827 | NPC188785 |
Remote Similarity | 0.5806 | NPC120887 |
Remote Similarity | 0.5772 | NPC329384 |
Remote Similarity | 0.5769 | NPC476876 |
Remote Similarity | 0.5769 | NPC475918 |
Remote Similarity | 0.5752 | NPC477519 |
Remote Similarity | 0.5748 | NPC233932 |
Remote Similarity | 0.5745 | NPC36254 |
Remote Similarity | 0.5736 | NPC215988 |
Remote Similarity | 0.5727 | NPC324165 |
Remote Similarity | 0.5727 | NPC169976 |
Remote Similarity | 0.5727 | NPC170963 |
Remote Similarity | 0.5727 | NPC126366 |
Remote Similarity | 0.5727 | NPC114640 |
Remote Similarity | 0.5727 | NPC33267 |
Remote Similarity | 0.5714 | NPC476344 |
Remote Similarity | 0.5704 | NPC309525 |
Remote Similarity | 0.5702 | NPC109188 |
Remote Similarity | 0.5693 | NPC475642 |
Remote Similarity | 0.5682 | NPC171734 |
Remote Similarity | 0.5682 | NPC207820 |
Remote Similarity | 0.568 | NPC90240 |
Remote Similarity | 0.568 | NPC150041 |
Remote Similarity | 0.5676 | NPC54460 |
Remote Similarity | 0.5662 | NPC471645 |
Remote Similarity | 0.5649 | NPC154601 |
Remote Similarity | 0.5643 | NPC245534 |
Remote Similarity | 0.5636 | NPC475930 |
Remote Similarity | 0.5636 | NPC127145 |
Remote Similarity | 0.5635 | NPC175614 |
Remote Similarity | 0.5634 | NPC470653 |
Remote Similarity | 0.5634 | NPC470654 |
Remote Similarity | 0.5634 | NPC470650 |
Remote Similarity | 0.5616 | NPC120335 |
Remote Similarity | 0.5606 | NPC251330 |
Molecular Weight   | 675.37 |
ALogP   | -5.6197 |
MLogP   | 3.44 |
XLogP   | 6.47 |
HDA   | 11 |
HBD   | 1 |
Rotatable Bonds   | 32 |
TPSA   | 156.83 |
RO5 Violation   | 3 |