Drug ID:   | NPD2717 |
Drug Name:   | Lidorestat |
Molecular Formula:   | C18H11F3N2O2S |
Canonical SMILES:   | OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F |
Standard InCHI:   | InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25) |
Standard InCHIKey:   | KYHVTMFADJNSGS-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.7701 | NPC164228 |
Intermediate Similarity | 0.7322 | NPC92796 |
Intermediate Similarity | 0.7322 | NPC135141 |
Intermediate Similarity | 0.7302 | NPC469938 |
Intermediate Similarity | 0.7293 | NPC161108 |
Intermediate Similarity | 0.7245 | NPC321708 |
Intermediate Similarity | 0.7238 | NPC216713 |
Intermediate Similarity | 0.7234 | NPC91895 |
Intermediate Similarity | 0.7207 | NPC288838 |
Intermediate Similarity | 0.7123 | NPC173344 |
Intermediate Similarity | 0.7089 | NPC149014 |
Intermediate Similarity | 0.7088 | NPC53947 |
Intermediate Similarity | 0.7072 | NPC471957 |
Intermediate Similarity | 0.7059 | NPC478185 |
Intermediate Similarity | 0.7047 | NPC59269 |
Intermediate Similarity | 0.7047 | NPC248454 |
Intermediate Similarity | 0.7039 | NPC138562 |
Intermediate Similarity | 0.7023 | NPC77022 |
Remote Similarity | 0.6991 | NPC216221 |
Remote Similarity | 0.698 | NPC294693 |
Remote Similarity | 0.6961 | NPC285731 |
Remote Similarity | 0.6952 | NPC293487 |
Remote Similarity | 0.6949 | NPC150259 |
Remote Similarity | 0.6944 | NPC190296 |
Remote Similarity | 0.6931 | NPC478182 |
Remote Similarity | 0.6923 | NPC126709 |
Remote Similarity | 0.6923 | NPC283219 |
Remote Similarity | 0.6923 | NPC248041 |
Remote Similarity | 0.6919 | NPC147810 |
Remote Similarity | 0.6919 | NPC200214 |
Remote Similarity | 0.6919 | NPC49051 |
Remote Similarity | 0.6912 | NPC272483 |
Remote Similarity | 0.6904 | NPC163055 |
Remote Similarity | 0.6898 | NPC216643 |
Remote Similarity | 0.6884 | NPC94752 |
Remote Similarity | 0.6872 | NPC84827 |
Remote Similarity | 0.6872 | NPC145885 |
Remote Similarity | 0.6872 | NPC284775 |
Remote Similarity | 0.6872 | NPC14113 |
Remote Similarity | 0.6868 | NPC314372 |
Remote Similarity | 0.6868 | NPC159856 |
Remote Similarity | 0.6865 | NPC470823 |
Remote Similarity | 0.6859 | NPC478183 |
Remote Similarity | 0.6856 | NPC203468 |
Remote Similarity | 0.6856 | NPC149155 |
Remote Similarity | 0.6856 | NPC110500 |
Remote Similarity | 0.6854 | NPC31385 |
Remote Similarity | 0.6854 | NPC314102 |
Remote Similarity | 0.6854 | NPC251722 |
Remote Similarity | 0.6854 | NPC75726 |
Remote Similarity | 0.6854 | NPC110602 |
Remote Similarity | 0.685 | NPC17059 |
Remote Similarity | 0.6842 | NPC478184 |
Remote Similarity | 0.6834 | NPC15102 |
Remote Similarity | 0.6823 | NPC63751 |
Remote Similarity | 0.6821 | NPC267885 |
Remote Similarity | 0.6816 | NPC255909 |
Remote Similarity | 0.6811 | NPC24678 |
Remote Similarity | 0.6811 | NPC105818 |
Remote Similarity | 0.6811 | NPC40070 |
Remote Similarity | 0.6809 | NPC129721 |
Remote Similarity | 0.6793 | NPC470111 |
Remote Similarity | 0.6788 | NPC32534 |
Remote Similarity | 0.6786 | NPC64436 |
Remote Similarity | 0.6782 | NPC287895 |
Remote Similarity | 0.6774 | NPC470233 |
Remote Similarity | 0.6771 | NPC56233 |
Remote Similarity | 0.6754 | NPC317105 |
Remote Similarity | 0.6751 | NPC12649 |
Remote Similarity | 0.6751 | NPC11126 |
Remote Similarity | 0.6751 | NPC213468 |
Remote Similarity | 0.6749 | NPC476460 |
Remote Similarity | 0.6746 | NPC193761 |
Remote Similarity | 0.6738 | NPC469760 |
Remote Similarity | 0.6738 | NPC469763 |
Remote Similarity | 0.6738 | NPC259644 |
Remote Similarity | 0.6738 | NPC469786 |
Remote Similarity | 0.6738 | NPC325903 |
Remote Similarity | 0.6738 | NPC25008 |
Remote Similarity | 0.6738 | NPC73952 |
Remote Similarity | 0.6738 | NPC469765 |
Remote Similarity | 0.6737 | NPC279918 |
Remote Similarity | 0.6736 | NPC78020 |
Remote Similarity | 0.6733 | NPC213629 |
Remote Similarity | 0.6729 | NPC82370 |
Remote Similarity | 0.6727 | NPC253987 |
Remote Similarity | 0.672 | NPC148592 |
Remote Similarity | 0.672 | NPC469762 |
Remote Similarity | 0.6717 | NPC24864 |
Remote Similarity | 0.6715 | NPC474916 |
Remote Similarity | 0.6704 | NPC96102 |
Remote Similarity | 0.6703 | NPC477974 |
Remote Similarity | 0.6702 | NPC80597 |
Remote Similarity | 0.6702 | NPC211572 |
Remote Similarity | 0.6702 | NPC70922 |
Remote Similarity | 0.6702 | NPC75540 |
Remote Similarity | 0.6702 | NPC212376 |
Remote Similarity | 0.6702 | NPC282231 |
Remote Similarity | 0.67 | NPC228835 |
Remote Similarity | 0.6685 | NPC110126 |
Remote Similarity | 0.6685 | NPC73767 |
Remote Similarity | 0.6684 | NPC49217 |
Remote Similarity | 0.6684 | NPC49954 |
Remote Similarity | 0.6684 | NPC474561 |
Remote Similarity | 0.6683 | NPC293917 |
Remote Similarity | 0.6667 | NPC308931 |
Remote Similarity | 0.6667 | NPC280290 |
Remote Similarity | 0.6667 | NPC84911 |
Remote Similarity | 0.6667 | NPC51054 |
Remote Similarity | 0.6667 | NPC469785 |
Remote Similarity | 0.6667 | NPC151779 |
Remote Similarity | 0.6667 | NPC105127 |
Remote Similarity | 0.6667 | NPC57398 |
Remote Similarity | 0.6667 | NPC99939 |
Remote Similarity | 0.6667 | NPC19170 |
Remote Similarity | 0.6649 | NPC63545 |
Remote Similarity | 0.6649 | NPC281094 |
Remote Similarity | 0.6648 | NPC469761 |
Remote Similarity | 0.6648 | NPC469784 |
Remote Similarity | 0.6648 | NPC469783 |
Remote Similarity | 0.6648 | NPC469768 |
Remote Similarity | 0.6648 | NPC469779 |
Remote Similarity | 0.6648 | NPC469780 |
Remote Similarity | 0.6648 | NPC469767 |
Remote Similarity | 0.6636 | NPC478158 |
Remote Similarity | 0.6635 | NPC67288 |
Remote Similarity | 0.6635 | NPC143325 |
Remote Similarity | 0.6634 | NPC235684 |
Remote Similarity | 0.6634 | NPC62749 |
Remote Similarity | 0.6633 | NPC16659 |
Remote Similarity | 0.662 | NPC75634 |
Remote Similarity | 0.662 | NPC323927 |
Remote Similarity | 0.6616 | NPC240088 |
Remote Similarity | 0.6616 | NPC157583 |
Remote Similarity | 0.6616 | NPC68354 |
Remote Similarity | 0.6616 | NPC473380 |
Remote Similarity | 0.6615 | NPC194411 |
Remote Similarity | 0.6613 | NPC469811 |
Remote Similarity | 0.6613 | NPC201380 |
Remote Similarity | 0.6613 | NPC179787 |
Remote Similarity | 0.6612 | NPC469766 |
Remote Similarity | 0.6611 | NPC29886 |
Remote Similarity | 0.6611 | NPC261195 |
Remote Similarity | 0.6609 | NPC273714 |
Remote Similarity | 0.6602 | NPC326422 |
Remote Similarity | 0.6602 | NPC304203 |
Remote Similarity | 0.6598 | NPC54988 |
Remote Similarity | 0.6598 | NPC160105 |
Remote Similarity | 0.6593 | NPC104483 |
Remote Similarity | 0.659 | NPC46358 |
Remote Similarity | 0.6587 | NPC227582 |
Remote Similarity | 0.6583 | NPC265710 |
Remote Similarity | 0.6583 | NPC248462 |
Remote Similarity | 0.658 | NPC311276 |
Remote Similarity | 0.658 | NPC194640 |
Remote Similarity | 0.6578 | NPC297862 |
Remote Similarity | 0.6578 | NPC321911 |
Remote Similarity | 0.6569 | NPC103119 |
Remote Similarity | 0.6566 | NPC280852 |
Remote Similarity | 0.6562 | NPC44773 |
Remote Similarity | 0.6562 | NPC215584 |
Remote Similarity | 0.6562 | NPC153467 |
Remote Similarity | 0.656 | NPC478157 |
Remote Similarity | 0.6557 | NPC279081 |
Remote Similarity | 0.6557 | NPC475774 |
Remote Similarity | 0.6555 | NPC131887 |
Remote Similarity | 0.6555 | NPC171317 |
Remote Similarity | 0.655 | NPC314919 |
Remote Similarity | 0.6548 | NPC477611 |
Remote Similarity | 0.6538 | NPC179701 |
Remote Similarity | 0.6538 | NPC169433 |
Remote Similarity | 0.6533 | NPC111275 |
Remote Similarity | 0.653 | NPC470732 |
Remote Similarity | 0.653 | NPC470731 |
Remote Similarity | 0.6526 | NPC473376 |
Remote Similarity | 0.6515 | NPC275305 |
Remote Similarity | 0.6515 | NPC37423 |
Remote Similarity | 0.6513 | NPC114637 |
Remote Similarity | 0.6512 | NPC66699 |
Remote Similarity | 0.651 | NPC477591 |
Remote Similarity | 0.6507 | NPC262898 |
Remote Similarity | 0.6505 | NPC473763 |
Remote Similarity | 0.6505 | NPC117244 |
Remote Similarity | 0.65 | NPC55772 |
Remote Similarity | 0.6497 | NPC470498 |
Remote Similarity | 0.6495 | NPC40779 |
Remote Similarity | 0.6495 | NPC8104 |
Remote Similarity | 0.6493 | NPC252338 |
Remote Similarity | 0.6488 | NPC188104 |
Remote Similarity | 0.6485 | NPC143533 |
Remote Similarity | 0.648 | NPC256893 |
Remote Similarity | 0.648 | NPC82295 |
Remote Similarity | 0.648 | NPC201700 |
Remote Similarity | 0.6477 | NPC131718 |
Remote Similarity | 0.6476 | NPC473640 |
Remote Similarity | 0.6471 | NPC143872 |
Remote Similarity | 0.6468 | NPC249662 |
Remote Similarity | 0.6468 | NPC91179 |
Remote Similarity | 0.6467 | NPC238499 |
Remote Similarity | 0.6467 | NPC230002 |
TTD   | DNC005485 |
DrugBank   | DB07063 |
ChEMBL   | CHEMBL363387 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 157839 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 376.05 |
ALogP   | 1.6637 |
MLogP   | 2.56 |
XLogP   | 3.999 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 8 |
TPSA   | 83.36 |
RO5 Violation   | 0 |