Drug ID:   | NPD1757 |
Drug Name:   | SDZ-NVI-085 |
Molecular Formula:   | C15H21NO2S |
Canonical SMILES:   | COc1ccc(c2c1C[C@H]1N(C)CCO[C@@H]1C2)SC |
Standard InCHI:   | InChI=1S/C15H21NO2S/c1-16-6-7-18-14-9-11-10(8-12(14)16)13(17-2)4-5-15(11)19-3/h4-5,12,14H,6-9H2,1-3H3/t12-,14-/m1/s1 |
Standard InCHIKey:   | SLMAGYSTRWJTMF-TZMCWYRMSA-N |
Max Developmental Stage:   | Discontinued |
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 | 0.7365 | NPC180756 |
Intermediate Similarity | 0.7365 | NPC323443 |
Intermediate Similarity | 0.7244 | NPC325568 |
Intermediate Similarity | 0.7095 | NPC220961 |
Intermediate Similarity | 0.7069 | NPC124657 |
Intermediate Similarity | 0.7018 | NPC476572 |
Intermediate Similarity | 0.7 | NPC325871 |
Intermediate Similarity | 0.7 | NPC99659 |
Remote Similarity | 0.6975 | NPC314682 |
Remote Similarity | 0.6933 | NPC188163 |
Remote Similarity | 0.6933 | NPC213206 |
Remote Similarity | 0.6933 | NPC328750 |
Remote Similarity | 0.6933 | NPC474915 |
Remote Similarity | 0.6933 | NPC470925 |
Remote Similarity | 0.6923 | NPC326316 |
Remote Similarity | 0.6923 | NPC81733 |
Remote Similarity | 0.6906 | NPC126284 |
Remote Similarity | 0.6906 | NPC267408 |
Remote Similarity | 0.6886 | NPC476151 |
Remote Similarity | 0.6886 | NPC16107 |
Remote Similarity | 0.6886 | NPC210437 |
Remote Similarity | 0.6886 | NPC51957 |
Remote Similarity | 0.6886 | NPC106295 |
Remote Similarity | 0.6886 | NPC476144 |
Remote Similarity | 0.6885 | NPC156576 |
Remote Similarity | 0.6867 | NPC110337 |
Remote Similarity | 0.6865 | NPC237579 |
Remote Similarity | 0.6857 | NPC1229 |
Remote Similarity | 0.6852 | NPC231163 |
Remote Similarity | 0.6852 | NPC318591 |
Remote Similarity | 0.6845 | NPC7467 |
Remote Similarity | 0.6835 | NPC160193 |
Remote Similarity | 0.6831 | NPC248642 |
Remote Similarity | 0.6818 | NPC225774 |
Remote Similarity | 0.6818 | NPC169743 |
Remote Similarity | 0.6805 | NPC477565 |
Remote Similarity | 0.6805 | NPC103379 |
Remote Similarity | 0.6802 | NPC244112 |
Remote Similarity | 0.6802 | NPC123323 |
Remote Similarity | 0.6782 | NPC59028 |
Remote Similarity | 0.6782 | NPC92191 |
Remote Similarity | 0.678 | NPC476432 |
Remote Similarity | 0.678 | NPC219341 |
Remote Similarity | 0.678 | NPC24264 |
Remote Similarity | 0.6778 | NPC2314 |
Remote Similarity | 0.6774 | NPC217277 |
Remote Similarity | 0.6766 | NPC185838 |
Remote Similarity | 0.6766 | NPC130926 |
Remote Similarity | 0.6761 | NPC218614 |
Remote Similarity | 0.6747 | NPC128019 |
Remote Similarity | 0.6747 | NPC136860 |
Remote Similarity | 0.6747 | NPC476567 |
Remote Similarity | 0.6742 | NPC145832 |
Remote Similarity | 0.6742 | NPC117188 |
Remote Similarity | 0.6742 | NPC158376 |
Remote Similarity | 0.6742 | NPC205421 |
Remote Similarity | 0.6742 | NPC474931 |
Remote Similarity | 0.6742 | NPC306555 |
Remote Similarity | 0.6742 | NPC247389 |
Remote Similarity | 0.6742 | NPC12053 |
Remote Similarity | 0.6742 | NPC81218 |
Remote Similarity | 0.6742 | NPC150879 |
Remote Similarity | 0.6723 | NPC167546 |
Remote Similarity | 0.6723 | NPC306843 |
Remote Similarity | 0.6723 | NPC136508 |
Remote Similarity | 0.6723 | NPC13504 |
Remote Similarity | 0.6723 | NPC253043 |
Remote Similarity | 0.6723 | NPC78222 |
Remote Similarity | 0.6723 | NPC212794 |
Remote Similarity | 0.6723 | NPC477563 |
Remote Similarity | 0.6723 | NPC196447 |
Remote Similarity | 0.6723 | NPC302527 |
Remote Similarity | 0.6723 | NPC16805 |
Remote Similarity | 0.6723 | NPC247972 |
Remote Similarity | 0.6723 | NPC96603 |
Remote Similarity | 0.6721 | NPC99179 |
Remote Similarity | 0.6704 | NPC130921 |
Remote Similarity | 0.6686 | NPC28414 |
Remote Similarity | 0.6686 | NPC321505 |
Remote Similarity | 0.6686 | NPC298924 |
Remote Similarity | 0.6686 | NPC191376 |
Remote Similarity | 0.6686 | NPC203424 |
Remote Similarity | 0.6686 | NPC206372 |
Remote Similarity | 0.6686 | NPC179825 |
Remote Similarity | 0.6685 | NPC115906 |
Remote Similarity | 0.6667 | NPC189908 |
Remote Similarity | 0.6667 | NPC126519 |
Remote Similarity | 0.6667 | NPC170503 |
Remote Similarity | 0.6667 | NPC203784 |
Remote Similarity | 0.6667 | NPC307020 |
Remote Similarity | 0.6667 | NPC324144 |
Remote Similarity | 0.6667 | NPC211218 |
Remote Similarity | 0.6648 | NPC160298 |
Remote Similarity | 0.6648 | NPC477559 |
Remote Similarity | 0.6648 | NPC306902 |
Remote Similarity | 0.6648 | NPC271388 |
Remote Similarity | 0.6648 | NPC27410 |
Remote Similarity | 0.6648 | NPC210918 |
Remote Similarity | 0.6648 | NPC119649 |
Remote Similarity | 0.6648 | NPC329969 |
Remote Similarity | 0.6648 | NPC205255 |
Remote Similarity | 0.6648 | NPC252960 |
Remote Similarity | 0.6648 | NPC230956 |
Remote Similarity | 0.6648 | NPC266753 |
Remote Similarity | 0.6648 | NPC235143 |
Remote Similarity | 0.6648 | NPC166014 |
Remote Similarity | 0.6648 | NPC232924 |
Remote Similarity | 0.6647 | NPC246587 |
Remote Similarity | 0.6647 | NPC135538 |
Remote Similarity | 0.6647 | NPC261940 |
Remote Similarity | 0.6647 | NPC428 |
Remote Similarity | 0.6647 | NPC24233 |
Remote Similarity | 0.6647 | NPC475959 |
Remote Similarity | 0.6647 | NPC147390 |
Remote Similarity | 0.6647 | NPC476571 |
Remote Similarity | 0.6646 | NPC253429 |
Remote Similarity | 0.6646 | NPC118419 |
Remote Similarity | 0.6631 | NPC214116 |
Remote Similarity | 0.6629 | NPC129603 |
Remote Similarity | 0.6627 | NPC473934 |
Remote Similarity | 0.6623 | NPC321133 |
Remote Similarity | 0.6612 | NPC241704 |
Remote Similarity | 0.6611 | NPC204908 |
Remote Similarity | 0.6611 | NPC158148 |
Remote Similarity | 0.6611 | NPC266176 |
Remote Similarity | 0.6611 | NPC290759 |
Remote Similarity | 0.6611 | NPC82533 |
Remote Similarity | 0.6611 | NPC83198 |
Remote Similarity | 0.661 | NPC79402 |
Remote Similarity | 0.661 | NPC80759 |
Remote Similarity | 0.661 | NPC94292 |
Remote Similarity | 0.6609 | NPC189266 |
Remote Similarity | 0.6609 | NPC54379 |
Remote Similarity | 0.6609 | NPC216459 |
Remote Similarity | 0.6609 | NPC5238 |
Remote Similarity | 0.6609 | NPC2413 |
Remote Similarity | 0.6609 | NPC204828 |
Remote Similarity | 0.6609 | NPC172765 |
Remote Similarity | 0.6609 | NPC39701 |
Remote Similarity | 0.6609 | NPC41178 |
Remote Similarity | 0.6609 | NPC249797 |
Remote Similarity | 0.6609 | NPC184026 |
Remote Similarity | 0.6609 | NPC110416 |
Remote Similarity | 0.6609 | NPC295691 |
Remote Similarity | 0.6609 | NPC138487 |
Remote Similarity | 0.6609 | NPC193949 |
Remote Similarity | 0.6609 | NPC278799 |
Remote Similarity | 0.6609 | NPC469817 |
Remote Similarity | 0.6609 | NPC207757 |
Remote Similarity | 0.6609 | NPC127674 |
Remote Similarity | 0.6609 | NPC276588 |
Remote Similarity | 0.6595 | NPC305847 |
Remote Similarity | 0.6592 | NPC13916 |
Remote Similarity | 0.6592 | NPC264850 |
Remote Similarity | 0.6591 | NPC7393 |
Remote Similarity | 0.6591 | NPC221864 |
Remote Similarity | 0.6591 | NPC329640 |
Remote Similarity | 0.659 | NPC470924 |
Remote Similarity | 0.6588 | NPC95075 |
Remote Similarity | 0.6588 | NPC253883 |
Remote Similarity | 0.6588 | NPC90844 |
Remote Similarity | 0.6588 | NPC144863 |
Remote Similarity | 0.6578 | NPC214629 |
Remote Similarity | 0.6576 | NPC294790 |
Remote Similarity | 0.6576 | NPC148693 |
Remote Similarity | 0.6576 | NPC118633 |
Remote Similarity | 0.6575 | NPC75958 |
Remote Similarity | 0.6575 | NPC168753 |
Remote Similarity | 0.6575 | NPC118274 |
Remote Similarity | 0.6573 | NPC233650 |
Remote Similarity | 0.6571 | NPC146288 |
Remote Similarity | 0.657 | NPC274026 |
Remote Similarity | 0.6568 | NPC226601 |
Remote Similarity | 0.6568 | NPC69623 |
Remote Similarity | 0.6562 | NPC66909 |
Remote Similarity | 0.6559 | NPC302449 |
Remote Similarity | 0.6559 | NPC476575 |
Remote Similarity | 0.6559 | NPC233718 |
Remote Similarity | 0.6556 | NPC204947 |
Remote Similarity | 0.6554 | NPC249274 |
Remote Similarity | 0.6552 | NPC477564 |
Remote Similarity | 0.6552 | NPC2295 |
Remote Similarity | 0.655 | NPC59907 |
Remote Similarity | 0.655 | NPC37144 |
Remote Similarity | 0.6541 | NPC244554 |
Remote Similarity | 0.6541 | NPC32154 |
Remote Similarity | 0.6538 | NPC225597 |
Remote Similarity | 0.6538 | NPC19520 |
Remote Similarity | 0.6538 | NPC239775 |
Remote Similarity | 0.6538 | NPC198498 |
Remote Similarity | 0.6538 | NPC65403 |
Remote Similarity | 0.6538 | NPC227060 |
Remote Similarity | 0.6538 | NPC317439 |
Remote Similarity | 0.6538 | NPC317145 |
Remote Similarity | 0.6538 | NPC477640 |
Remote Similarity | 0.6538 | NPC115284 |
Remote Similarity | 0.6538 | NPC63646 |
Remote Similarity | 0.6538 | NPC76682 |
Remote Similarity | 0.6538 | NPC276890 |
Remote Similarity | 0.6538 | NPC149090 |
TTD   | DIB003479 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 279.13 |
ALogP   | 0.6497 |
MLogP   | 2.67 |
XLogP   | 2.13 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 47 |
RO5 Violation   | 0 |