Drug ID:   | NPD2512 |
Drug Name:   | Tinoridine |
Molecular Formula:   | C17H20N2O2S |
Canonical SMILES:   | CCOC(=O)c1c(N)sc2c1CCN(C2)Cc1ccccc1 |
Standard InCHI:   | InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3 |
Standard InCHIKey:   | PFENFDGYVLAFBR-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
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 | 0.7667 | NPC23908 |
Remote Similarity | 0.6937 | NPC319645 |
Remote Similarity | 0.6842 | NPC26285 |
Remote Similarity | 0.677 | NPC281104 |
Remote Similarity | 0.675 | NPC173295 |
Remote Similarity | 0.6688 | NPC122235 |
Remote Similarity | 0.6645 | NPC226794 |
Remote Similarity | 0.6592 | NPC191310 |
Remote Similarity | 0.6512 | NPC107287 |
Remote Similarity | 0.64 | NPC61013 |
Remote Similarity | 0.6364 | NPC193410 |
Remote Similarity | 0.6354 | NPC249614 |
Remote Similarity | 0.6343 | NPC471649 |
Remote Similarity | 0.6328 | NPC248117 |
Remote Similarity | 0.6301 | NPC314223 |
Remote Similarity | 0.6286 | NPC161827 |
Remote Similarity | 0.628 | NPC253476 |
Remote Similarity | 0.6279 | NPC112741 |
Remote Similarity | 0.6264 | NPC471648 |
Remote Similarity | 0.6243 | NPC224970 |
Remote Similarity | 0.6243 | NPC223595 |
Remote Similarity | 0.6243 | NPC167724 |
Remote Similarity | 0.6236 | NPC474058 |
Remote Similarity | 0.6215 | NPC123241 |
Remote Similarity | 0.6201 | NPC293458 |
Remote Similarity | 0.6196 | NPC314098 |
Remote Similarity | 0.6186 | NPC135950 |
Remote Similarity | 0.618 | NPC263709 |
Remote Similarity | 0.618 | NPC243673 |
Remote Similarity | 0.618 | NPC63210 |
Remote Similarity | 0.618 | NPC97380 |
Remote Similarity | 0.618 | NPC148468 |
Remote Similarity | 0.618 | NPC310403 |
Remote Similarity | 0.6162 | NPC203202 |
Remote Similarity | 0.6162 | NPC264482 |
Remote Similarity | 0.6154 | NPC470971 |
Remote Similarity | 0.6154 | NPC43477 |
Remote Similarity | 0.615 | NPC289086 |
Remote Similarity | 0.6142 | NPC103361 |
Remote Similarity | 0.6141 | NPC177261 |
Remote Similarity | 0.6133 | NPC52059 |
Remote Similarity | 0.6133 | NPC470069 |
Remote Similarity | 0.6129 | NPC186669 |
Remote Similarity | 0.6096 | NPC6974 |
Remote Similarity | 0.6096 | NPC218594 |
Remote Similarity | 0.6096 | NPC99043 |
Remote Similarity | 0.6094 | NPC44354 |
Remote Similarity | 0.6085 | NPC159963 |
Remote Similarity | 0.6084 | NPC266425 |
Remote Similarity | 0.6082 | NPC55493 |
Remote Similarity | 0.6082 | NPC308197 |
Remote Similarity | 0.6077 | NPC189116 |
Remote Similarity | 0.6073 | NPC149571 |
Remote Similarity | 0.6067 | NPC63370 |
Remote Similarity | 0.6067 | NPC36836 |
Remote Similarity | 0.6066 | NPC471651 |
Remote Similarity | 0.6057 | NPC473329 |
Remote Similarity | 0.6049 | NPC65310 |
Remote Similarity | 0.6044 | NPC299582 |
Remote Similarity | 0.6042 | NPC14994 |
Remote Similarity | 0.6034 | NPC153694 |
Remote Similarity | 0.6034 | NPC211525 |
Remote Similarity | 0.6025 | NPC285394 |
Remote Similarity | 0.6021 | NPC49184 |
Remote Similarity | 0.6012 | NPC230085 |
Remote Similarity | 0.6012 | NPC159630 |
Remote Similarity | 0.6011 | NPC471652 |
Remote Similarity | 0.6011 | NPC263455 |
Remote Similarity | 0.6011 | NPC472114 |
Remote Similarity | 0.6011 | NPC472115 |
Remote Similarity | 0.6 | NPC470317 |
Remote Similarity | 0.6 | NPC36495 |
Remote Similarity | 0.599 | NPC268077 |
Remote Similarity | 0.5987 | NPC158854 |
Remote Similarity | 0.598 | NPC285192 |
Remote Similarity | 0.5979 | NPC45389 |
Remote Similarity | 0.5977 | NPC471646 |
Remote Similarity | 0.5977 | NPC471647 |
Remote Similarity | 0.5975 | NPC130931 |
Remote Similarity | 0.5969 | NPC97584 |
Remote Similarity | 0.5969 | NPC471742 |
Remote Similarity | 0.5951 | NPC250476 |
Remote Similarity | 0.5949 | NPC25401 |
Remote Similarity | 0.5949 | NPC22476 |
Remote Similarity | 0.5946 | NPC206941 |
Remote Similarity | 0.5946 | NPC472118 |
Remote Similarity | 0.5942 | NPC280473 |
Remote Similarity | 0.5942 | NPC323551 |
Remote Similarity | 0.5941 | NPC41216 |
Remote Similarity | 0.5938 | NPC322621 |
Remote Similarity | 0.5936 | NPC329338 |
Remote Similarity | 0.5936 | NPC70840 |
Remote Similarity | 0.5936 | NPC473245 |
Remote Similarity | 0.5936 | NPC469726 |
Remote Similarity | 0.5936 | NPC176304 |
Remote Similarity | 0.593 | NPC320748 |
Remote Similarity | 0.593 | NPC324245 |
Remote Similarity | 0.5926 | NPC321211 |
Remote Similarity | 0.5924 | NPC278887 |
Remote Similarity | 0.5924 | NPC182131 |
Remote Similarity | 0.5913 | NPC51008 |
Remote Similarity | 0.5913 | NPC165837 |
Remote Similarity | 0.5913 | NPC41724 |
Remote Similarity | 0.5912 | NPC133817 |
Remote Similarity | 0.5912 | NPC476443 |
Remote Similarity | 0.5911 | NPC473239 |
Remote Similarity | 0.5909 | NPC242000 |
Remote Similarity | 0.5906 | NPC242933 |
Remote Similarity | 0.5905 | NPC471197 |
Remote Similarity | 0.5904 | NPC84347 |
Remote Similarity | 0.5904 | NPC231382 |
Remote Similarity | 0.5902 | NPC63041 |
Remote Similarity | 0.5901 | NPC213126 |
Remote Similarity | 0.5901 | NPC169485 |
Remote Similarity | 0.5901 | NPC291027 |
Remote Similarity | 0.5901 | NPC84281 |
Remote Similarity | 0.5901 | NPC317474 |
Remote Similarity | 0.59 | NPC123395 |
Remote Similarity | 0.5897 | NPC32356 |
Remote Similarity | 0.5895 | NPC5167 |
Remote Similarity | 0.5886 | NPC189908 |
Remote Similarity | 0.5885 | NPC4421 |
Remote Similarity | 0.5885 | NPC289167 |
Remote Similarity | 0.5885 | NPC76433 |
Remote Similarity | 0.5885 | NPC186957 |
Remote Similarity | 0.5882 | NPC276993 |
Remote Similarity | 0.5882 | NPC21752 |
Remote Similarity | 0.5882 | NPC298851 |
Remote Similarity | 0.5882 | NPC293255 |
Remote Similarity | 0.5882 | NPC309498 |
Remote Similarity | 0.5882 | NPC210415 |
Remote Similarity | 0.5882 | NPC181138 |
Remote Similarity | 0.5879 | NPC27904 |
Remote Similarity | 0.5879 | NPC93653 |
Remote Similarity | 0.5877 | NPC471198 |
Remote Similarity | 0.5876 | NPC214239 |
Remote Similarity | 0.5876 | NPC144691 |
Remote Similarity | 0.5874 | NPC304179 |
Remote Similarity | 0.5874 | NPC472550 |
Remote Similarity | 0.5874 | NPC48042 |
Remote Similarity | 0.5871 | NPC79223 |
Remote Similarity | 0.5867 | NPC203628 |
Remote Similarity | 0.5867 | NPC138370 |
Remote Similarity | 0.5866 | NPC478076 |
Remote Similarity | 0.5865 | NPC476467 |
Remote Similarity | 0.5862 | NPC207971 |
Remote Similarity | 0.5855 | NPC473007 |
Remote Similarity | 0.5855 | NPC282103 |
Remote Similarity | 0.5852 | NPC13470 |
Remote Similarity | 0.5851 | NPC470548 |
Remote Similarity | 0.585 | NPC265642 |
Remote Similarity | 0.585 | NPC35448 |
Remote Similarity | 0.585 | NPC78701 |
Remote Similarity | 0.585 | NPC138615 |
Remote Similarity | 0.585 | NPC218733 |
Remote Similarity | 0.585 | NPC132874 |
Remote Similarity | 0.5848 | NPC208170 |
Remote Similarity | 0.5848 | NPC216149 |
Remote Similarity | 0.5847 | NPC282339 |
Remote Similarity | 0.5847 | NPC99632 |
Remote Similarity | 0.5846 | NPC471650 |
Remote Similarity | 0.5845 | NPC123839 |
Remote Similarity | 0.5843 | NPC243756 |
Remote Similarity | 0.5843 | NPC477432 |
Remote Similarity | 0.5842 | NPC469964 |
Remote Similarity | 0.5842 | NPC32451 |
Remote Similarity | 0.5842 | NPC472474 |
Remote Similarity | 0.5842 | NPC476236 |
Remote Similarity | 0.5838 | NPC471546 |
Remote Similarity | 0.5833 | NPC314659 |
Remote Similarity | 0.5833 | NPC130655 |
Remote Similarity | 0.5829 | NPC245916 |
Remote Similarity | 0.5829 | NPC206343 |
Remote Similarity | 0.5829 | NPC6981 |
Remote Similarity | 0.5829 | NPC477908 |
Remote Similarity | 0.5828 | NPC269457 |
Remote Similarity | 0.5825 | NPC297647 |
Remote Similarity | 0.5822 | NPC477901 |
Remote Similarity | 0.5821 | NPC241024 |
Remote Similarity | 0.5816 | NPC5630 |
Remote Similarity | 0.5816 | NPC313293 |
Remote Similarity | 0.5815 | NPC313757 |
Remote Similarity | 0.5813 | NPC177684 |
Remote Similarity | 0.5813 | NPC1464 |
Remote Similarity | 0.5813 | NPC291962 |
Remote Similarity | 0.5812 | NPC85613 |
Remote Similarity | 0.5812 | NPC317010 |
Remote Similarity | 0.5811 | NPC118343 |
Remote Similarity | 0.5811 | NPC146351 |
Remote Similarity | 0.581 | NPC477979 |
Remote Similarity | 0.581 | NPC264674 |
Remote Similarity | 0.5805 | NPC195787 |
Remote Similarity | 0.5805 | NPC246140 |
Remote Similarity | 0.5802 | NPC212768 |
Remote Similarity | 0.5802 | NPC144779 |
Remote Similarity | 0.5802 | NPC294579 |
Remote Similarity | 0.5802 | NPC6576 |
Remote Similarity | 0.5802 | NPC158020 |
Remote Similarity | 0.5802 | NPC473089 |
Remote Similarity | 0.5802 | NPC75600 |
Molecular Weight   | 316.12 |
ALogP   | 0.4059 |
MLogP   | 2.78 |
XLogP   | 3.786 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 83.8 |
RO5 Violation   | 0 |