Drug ID:   | NPD7095 |
Drug Name:   | Clinofibrate |
Molecular Formula:   | C28H36O6 |
Canonical SMILES:   | CCC(C(=O)O)(Oc1ccc(cc1)C1(CCCCC1)c1cccc(c1)OC(C(=O)O)(CC)C)C |
Standard InCHI:   | InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-15-13-20(14-16-22)28(17-8-7-9-18-28)21-11-10-12-23(19-21)34-27(4,6-2)25(31)32/h10-16,19H,5-9,17-18H2,1-4H3,(H,29,30)(H,31,32) |
Standard InCHIKey:   | OGGAHXJZRRGBTK-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | 0.832 | NPC51345 |
Intermediate Similarity | 0.8209 | NPC241354 |
Intermediate Similarity | 0.8201 | NPC265335 |
Intermediate Similarity | 0.8201 | NPC76032 |
Intermediate Similarity | 0.8201 | NPC132723 |
Intermediate Similarity | 0.8175 | NPC473054 |
Intermediate Similarity | 0.8168 | NPC470887 |
Intermediate Similarity | 0.8148 | NPC475102 |
Intermediate Similarity | 0.8148 | NPC249425 |
Intermediate Similarity | 0.8143 | NPC79372 |
Intermediate Similarity | 0.8134 | NPC176590 |
Intermediate Similarity | 0.8134 | NPC226661 |
Intermediate Similarity | 0.8062 | NPC163036 |
Intermediate Similarity | 0.8062 | NPC234956 |
Intermediate Similarity | 0.8058 | NPC120852 |
Intermediate Similarity | 0.8045 | NPC3221 |
Intermediate Similarity | 0.8043 | NPC300776 |
Intermediate Similarity | 0.8043 | NPC68779 |
Intermediate Similarity | 0.8043 | NPC176814 |
Intermediate Similarity | 0.8043 | NPC5310 |
Intermediate Similarity | 0.8043 | NPC4982 |
Intermediate Similarity | 0.8042 | NPC160378 |
Intermediate Similarity | 0.803 | NPC14141 |
Intermediate Similarity | 0.8028 | NPC253722 |
Intermediate Similarity | 0.8028 | NPC253481 |
Intermediate Similarity | 0.8028 | NPC31751 |
Intermediate Similarity | 0.8 | NPC281780 |
Intermediate Similarity | 0.8 | NPC110313 |
Intermediate Similarity | 0.7985 | NPC17837 |
Intermediate Similarity | 0.7985 | NPC304630 |
Intermediate Similarity | 0.7985 | NPC213552 |
Intermediate Similarity | 0.7985 | NPC128321 |
Intermediate Similarity | 0.7985 | NPC120225 |
Intermediate Similarity | 0.797 | NPC474237 |
Intermediate Similarity | 0.797 | NPC140521 |
Intermediate Similarity | 0.7958 | NPC29599 |
Intermediate Similarity | 0.7943 | NPC284409 |
Intermediate Similarity | 0.7941 | NPC83062 |
Intermediate Similarity | 0.7926 | NPC223807 |
Intermediate Similarity | 0.7923 | NPC264976 |
Intermediate Similarity | 0.7917 | NPC471876 |
Intermediate Similarity | 0.7917 | NPC304956 |
Intermediate Similarity | 0.7917 | NPC474599 |
Intermediate Similarity | 0.791 | NPC289459 |
Intermediate Similarity | 0.791 | NPC249836 |
Intermediate Similarity | 0.791 | NPC280767 |
Intermediate Similarity | 0.791 | NPC53305 |
Intermediate Similarity | 0.791 | NPC257589 |
Intermediate Similarity | 0.7907 | NPC86947 |
Intermediate Similarity | 0.7895 | NPC279379 |
Intermediate Similarity | 0.7887 | NPC288452 |
Intermediate Similarity | 0.7887 | NPC289690 |
Intermediate Similarity | 0.7887 | NPC106055 |
Intermediate Similarity | 0.7887 | NPC110699 |
Intermediate Similarity | 0.7868 | NPC217431 |
Intermediate Similarity | 0.7863 | NPC242885 |
Intermediate Similarity | 0.7863 | NPC56214 |
Intermediate Similarity | 0.7863 | NPC95614 |
Intermediate Similarity | 0.7863 | NPC227217 |
Intermediate Similarity | 0.7863 | NPC117780 |
Intermediate Similarity | 0.7863 | NPC165133 |
Intermediate Similarity | 0.7863 | NPC232316 |
Intermediate Similarity | 0.7862 | NPC53884 |
Intermediate Similarity | 0.7862 | NPC258671 |
Intermediate Similarity | 0.7857 | NPC113295 |
Intermediate Similarity | 0.7852 | NPC127937 |
Intermediate Similarity | 0.7852 | NPC134431 |
Intermediate Similarity | 0.7852 | NPC92207 |
Intermediate Similarity | 0.7852 | NPC156854 |
Intermediate Similarity | 0.7846 | NPC470626 |
Intermediate Similarity | 0.7846 | NPC474040 |
Intermediate Similarity | 0.7846 | NPC159916 |
Intermediate Similarity | 0.7846 | NPC205502 |
Intermediate Similarity | 0.7836 | NPC89630 |
Intermediate Similarity | 0.7836 | NPC265413 |
Intermediate Similarity | 0.7836 | NPC246704 |
Intermediate Similarity | 0.7836 | NPC10154 |
Intermediate Similarity | 0.7836 | NPC78446 |
Intermediate Similarity | 0.7836 | NPC60517 |
Intermediate Similarity | 0.7836 | NPC146886 |
Intermediate Similarity | 0.7836 | NPC20443 |
Intermediate Similarity | 0.7826 | NPC258073 |
Intermediate Similarity | 0.7823 | NPC95990 |
Intermediate Similarity | 0.782 | NPC473464 |
Intermediate Similarity | 0.782 | NPC476332 |
Intermediate Similarity | 0.782 | NPC71090 |
Intermediate Similarity | 0.7805 | NPC473393 |
Intermediate Similarity | 0.7801 | NPC90431 |
Intermediate Similarity | 0.7801 | NPC471719 |
Intermediate Similarity | 0.7801 | NPC471988 |
Intermediate Similarity | 0.7801 | NPC474610 |
Intermediate Similarity | 0.7794 | NPC95034 |
Intermediate Similarity | 0.7794 | NPC142087 |
Intermediate Similarity | 0.7794 | NPC473993 |
Intermediate Similarity | 0.7793 | NPC224884 |
Intermediate Similarity | 0.7793 | NPC209085 |
Intermediate Similarity | 0.7786 | NPC310338 |
Intermediate Similarity | 0.7786 | NPC281298 |
Intermediate Similarity | 0.7786 | NPC474320 |
Intermediate Similarity | 0.7786 | NPC67247 |
Intermediate Similarity | 0.7785 | NPC300329 |
Intermediate Similarity | 0.7778 | NPC137416 |
Intermediate Similarity | 0.7778 | NPC29008 |
Intermediate Similarity | 0.7778 | NPC472410 |
Intermediate Similarity | 0.7778 | NPC228771 |
Intermediate Similarity | 0.7778 | NPC170749 |
Intermediate Similarity | 0.7778 | NPC266705 |
Intermediate Similarity | 0.777 | NPC239302 |
Intermediate Similarity | 0.777 | NPC113790 |
Intermediate Similarity | 0.7769 | NPC293619 |
Intermediate Similarity | 0.7763 | NPC163635 |
Intermediate Similarity | 0.7762 | NPC198038 |
Intermediate Similarity | 0.7762 | NPC234568 |
Intermediate Similarity | 0.7761 | NPC31344 |
Intermediate Similarity | 0.7761 | NPC21238 |
Intermediate Similarity | 0.7761 | NPC320287 |
Intermediate Similarity | 0.7761 | NPC473942 |
Intermediate Similarity | 0.7761 | NPC317769 |
Intermediate Similarity | 0.776 | NPC75440 |
Intermediate Similarity | 0.7755 | NPC299090 |
Intermediate Similarity | 0.7755 | NPC283081 |
Intermediate Similarity | 0.7755 | NPC143892 |
Intermediate Similarity | 0.7755 | NPC221383 |
Intermediate Similarity | 0.7754 | NPC172673 |
Intermediate Similarity | 0.7752 | NPC47194 |
Intermediate Similarity | 0.7752 | NPC296526 |
Intermediate Similarity | 0.7746 | NPC126206 |
Intermediate Similarity | 0.7744 | NPC290451 |
Intermediate Similarity | 0.7744 | NPC177291 |
Intermediate Similarity | 0.7744 | NPC160380 |
Intermediate Similarity | 0.7744 | NPC38996 |
Intermediate Similarity | 0.7744 | NPC194416 |
Intermediate Similarity | 0.7744 | NPC127389 |
Intermediate Similarity | 0.774 | NPC19862 |
Intermediate Similarity | 0.774 | NPC280717 |
Intermediate Similarity | 0.774 | NPC307205 |
Intermediate Similarity | 0.774 | NPC235195 |
Intermediate Similarity | 0.774 | NPC271607 |
Intermediate Similarity | 0.7737 | NPC47288 |
Intermediate Similarity | 0.7737 | NPC478215 |
Intermediate Similarity | 0.7734 | NPC303522 |
Intermediate Similarity | 0.7734 | NPC165106 |
Intermediate Similarity | 0.7734 | NPC109241 |
Intermediate Similarity | 0.773 | NPC93783 |
Intermediate Similarity | 0.7721 | NPC303680 |
Intermediate Similarity | 0.7721 | NPC276014 |
Intermediate Similarity | 0.7721 | NPC84076 |
Intermediate Similarity | 0.7721 | NPC90128 |
Intermediate Similarity | 0.7718 | NPC221091 |
Intermediate Similarity | 0.7718 | NPC229882 |
Intermediate Similarity | 0.7718 | NPC259576 |
Intermediate Similarity | 0.7718 | NPC158635 |
Intermediate Similarity | 0.771 | NPC277460 |
Intermediate Similarity | 0.771 | NPC474214 |
Intermediate Similarity | 0.7708 | NPC282291 |
Intermediate Similarity | 0.7708 | NPC166137 |
Intermediate Similarity | 0.7708 | NPC100675 |
Intermediate Similarity | 0.7704 | NPC114901 |
Intermediate Similarity | 0.7704 | NPC109822 |
Intermediate Similarity | 0.7704 | NPC48990 |
Intermediate Similarity | 0.7704 | NPC111088 |
Intermediate Similarity | 0.7704 | NPC248557 |
Intermediate Similarity | 0.7704 | NPC94276 |
Intermediate Similarity | 0.7704 | NPC293701 |
Intermediate Similarity | 0.7697 | NPC38699 |
Intermediate Similarity | 0.7692 | NPC81067 |
Intermediate Similarity | 0.7692 | NPC9341 |
Intermediate Similarity | 0.7692 | NPC327694 |
Intermediate Similarity | 0.7687 | NPC85488 |
Intermediate Similarity | 0.7687 | NPC302211 |
Intermediate Similarity | 0.7687 | NPC188997 |
Intermediate Similarity | 0.7681 | NPC210655 |
Intermediate Similarity | 0.7681 | NPC304622 |
Intermediate Similarity | 0.7676 | NPC77861 |
Intermediate Similarity | 0.7676 | NPC471665 |
Intermediate Similarity | 0.7676 | NPC471664 |
Intermediate Similarity | 0.7669 | NPC471877 |
Intermediate Similarity | 0.7669 | NPC207613 |
Intermediate Similarity | 0.7667 | NPC118033 |
Intermediate Similarity | 0.7667 | NPC119252 |
Intermediate Similarity | 0.7664 | NPC151167 |
Intermediate Similarity | 0.7664 | NPC470699 |
Intermediate Similarity | 0.7664 | NPC276466 |
Intermediate Similarity | 0.7664 | NPC5018 |
Intermediate Similarity | 0.7664 | NPC123228 |
Intermediate Similarity | 0.7664 | NPC123722 |
Intermediate Similarity | 0.7662 | NPC469654 |
Intermediate Similarity | 0.7661 | NPC473855 |
Intermediate Similarity | 0.766 | NPC309744 |
Intermediate Similarity | 0.766 | NPC213122 |
Intermediate Similarity | 0.766 | NPC141023 |
Intermediate Similarity | 0.7656 | NPC280760 |
Intermediate Similarity | 0.7655 | NPC67467 |
Intermediate Similarity | 0.7655 | NPC131971 |
Intermediate Similarity | 0.7652 | NPC37858 |
Intermediate Similarity | 0.7652 | NPC471449 |
Intermediate Similarity | 0.7652 | NPC42657 |
Intermediate Similarity | 0.7651 | NPC292206 |
Intermediate Similarity | 0.7647 | NPC28476 |
Intermediate Similarity | 0.7647 | NPC9067 |
TTD   | |
DrugBank   | DB09006 |
ChEMBL   | CHEMBL1897738 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D01300 |
PubChem CID   | |
ChEBI   | 31412 |
CAS Number   | 30299-08-2 |
Molecular Weight   | 468.25 |
ALogP   | -2.061 |
MLogP   | 3.88 |
XLogP   | 8.096 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 16 |
TPSA   | 93.06 |
RO5 Violation   | 1 |