Drug ID:   | NPD2666 |
Drug Name:   | Amisulpride |
Molecular Formula:   | C17H27N3O4S |
Canonical SMILES:   | CCN1CCCC1CN=C(c1cc(c(cc1OC)N)S(=O)(=O)CC)O |
Standard InCHI:   | InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) |
Standard InCHIKey:   | NTJOBXMMWNYJFB-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
Remote Similarity | 0.6559 | NPC219383 |
Remote Similarity | 0.6471 | NPC28510 |
Remote Similarity | 0.6447 | NPC473432 |
Remote Similarity | 0.6422 | NPC174629 |
Remote Similarity | 0.6378 | NPC310894 |
Remote Similarity | 0.6359 | NPC204970 |
Remote Similarity | 0.635 | NPC222592 |
Remote Similarity | 0.635 | NPC168486 |
Remote Similarity | 0.6316 | NPC70956 |
Remote Similarity | 0.6316 | NPC243834 |
Remote Similarity | 0.6281 | NPC168153 |
Remote Similarity | 0.6276 | NPC208280 |
Remote Similarity | 0.6269 | NPC249662 |
Remote Similarity | 0.6262 | NPC474059 |
Remote Similarity | 0.6182 | NPC469592 |
Remote Similarity | 0.6182 | NPC471080 |
Remote Similarity | 0.6181 | NPC225381 |
Remote Similarity | 0.6175 | NPC475910 |
Remote Similarity | 0.6169 | NPC9475 |
Remote Similarity | 0.6166 | NPC469428 |
Remote Similarity | 0.6158 | NPC322283 |
Remote Similarity | 0.6154 | NPC72291 |
Remote Similarity | 0.615 | NPC128237 |
Remote Similarity | 0.615 | NPC83790 |
Remote Similarity | 0.615 | NPC121772 |
Remote Similarity | 0.6143 | NPC469594 |
Remote Similarity | 0.6142 | NPC19555 |
Remote Similarity | 0.6121 | NPC232600 |
Remote Similarity | 0.6108 | NPC70092 |
Remote Similarity | 0.6108 | NPC283999 |
Remote Similarity | 0.6093 | NPC291535 |
Remote Similarity | 0.6093 | NPC475112 |
Remote Similarity | 0.6093 | NPC475085 |
Remote Similarity | 0.6087 | NPC329731 |
Remote Similarity | 0.6075 | NPC329747 |
Remote Similarity | 0.6073 | NPC168250 |
Remote Similarity | 0.6073 | NPC469589 |
Remote Similarity | 0.6065 | NPC473460 |
Remote Similarity | 0.6058 | NPC217294 |
Remote Similarity | 0.6056 | NPC477527 |
Remote Similarity | 0.6055 | NPC193777 |
Remote Similarity | 0.6054 | NPC152768 |
Remote Similarity | 0.6054 | NPC148183 |
Remote Similarity | 0.6037 | NPC473422 |
Remote Similarity | 0.603 | NPC315388 |
Remote Similarity | 0.6029 | NPC39822 |
Remote Similarity | 0.6026 | NPC153467 |
Remote Similarity | 0.6019 | NPC84478 |
Remote Similarity | 0.601 | NPC70172 |
Remote Similarity | 0.6009 | NPC476106 |
Remote Similarity | 0.6 | NPC288430 |
Remote Similarity | 0.6 | NPC303658 |
Remote Similarity | 0.6 | NPC324702 |
Remote Similarity | 0.599 | NPC473007 |
Remote Similarity | 0.5981 | NPC72211 |
Remote Similarity | 0.5981 | NPC477186 |
Remote Similarity | 0.5969 | NPC291359 |
Remote Similarity | 0.5964 | NPC478074 |
Remote Similarity | 0.5962 | NPC13880 |
Remote Similarity | 0.5962 | NPC303214 |
Remote Similarity | 0.5959 | NPC184161 |
Remote Similarity | 0.5952 | NPC473008 |
Remote Similarity | 0.5949 | NPC10875 |
Remote Similarity | 0.5949 | NPC10730 |
Remote Similarity | 0.5947 | NPC128115 |
Remote Similarity | 0.5946 | NPC166667 |
Remote Similarity | 0.5942 | NPC62069 |
Remote Similarity | 0.594 | NPC470889 |
Remote Similarity | 0.5936 | NPC472111 |
Remote Similarity | 0.5933 | NPC4910 |
Remote Similarity | 0.5933 | NPC469830 |
Remote Similarity | 0.5931 | NPC228040 |
Remote Similarity | 0.5931 | NPC473185 |
Remote Similarity | 0.5931 | NPC283152 |
Remote Similarity | 0.593 | NPC204179 |
Remote Similarity | 0.593 | NPC254700 |
Remote Similarity | 0.5924 | NPC22476 |
Remote Similarity | 0.5921 | NPC310118 |
Remote Similarity | 0.5917 | NPC226914 |
Remote Similarity | 0.5915 | NPC59827 |
Remote Similarity | 0.5915 | NPC131017 |
Remote Similarity | 0.5915 | NPC184933 |
Remote Similarity | 0.5909 | NPC230942 |
Remote Similarity | 0.5909 | NPC86966 |
Remote Similarity | 0.5909 | NPC191863 |
Remote Similarity | 0.5909 | NPC315498 |
Remote Similarity | 0.5909 | NPC133470 |
Remote Similarity | 0.5909 | NPC289776 |
Remote Similarity | 0.5901 | NPC11464 |
Remote Similarity | 0.5897 | NPC203424 |
Remote Similarity | 0.5897 | NPC206372 |
Remote Similarity | 0.5894 | NPC98197 |
Remote Similarity | 0.589 | NPC87714 |
Remote Similarity | 0.5888 | NPC108847 |
Remote Similarity | 0.5888 | NPC70259 |
Remote Similarity | 0.5886 | NPC43275 |
Remote Similarity | 0.588 | NPC18487 |
Remote Similarity | 0.5869 | NPC203972 |
Remote Similarity | 0.5867 | NPC326349 |
Remote Similarity | 0.5867 | NPC323336 |
Remote Similarity | 0.5862 | NPC110151 |
Remote Similarity | 0.586 | NPC472191 |
Remote Similarity | 0.586 | NPC272706 |
Remote Similarity | 0.5859 | NPC235628 |
Remote Similarity | 0.5859 | NPC306366 |
Remote Similarity | 0.5857 | NPC74382 |
Remote Similarity | 0.5857 | NPC206251 |
Remote Similarity | 0.5854 | NPC127082 |
Remote Similarity | 0.5852 | NPC17388 |
Remote Similarity | 0.5852 | NPC53596 |
Remote Similarity | 0.5852 | NPC112823 |
Remote Similarity | 0.5852 | NPC160120 |
Remote Similarity | 0.5852 | NPC477532 |
Remote Similarity | 0.5852 | NPC471308 |
Remote Similarity | 0.5852 | NPC289330 |
Remote Similarity | 0.5851 | NPC83289 |
Remote Similarity | 0.5851 | NPC477838 |
Remote Similarity | 0.5851 | NPC212850 |
Remote Similarity | 0.5851 | NPC477837 |
Remote Similarity | 0.5851 | NPC189724 |
Remote Similarity | 0.585 | NPC94292 |
Remote Similarity | 0.5849 | NPC475411 |
Remote Similarity | 0.5849 | NPC203628 |
Remote Similarity | 0.5848 | NPC48353 |
Remote Similarity | 0.5848 | NPC316981 |
Remote Similarity | 0.5845 | NPC162484 |
Remote Similarity | 0.5845 | NPC260118 |
Remote Similarity | 0.5841 | NPC205934 |
Remote Similarity | 0.5841 | NPC43787 |
Remote Similarity | 0.5837 | NPC94943 |
Remote Similarity | 0.5837 | NPC194740 |
Remote Similarity | 0.5833 | NPC108826 |
Remote Similarity | 0.5833 | NPC474649 |
Remote Similarity | 0.5833 | NPC473179 |
Remote Similarity | 0.5833 | NPC213530 |
Remote Similarity | 0.5833 | NPC474652 |
Remote Similarity | 0.5833 | NPC193267 |
Remote Similarity | 0.583 | NPC269449 |
Remote Similarity | 0.583 | NPC476651 |
Remote Similarity | 0.5829 | NPC177404 |
Remote Similarity | 0.5826 | NPC232727 |
Remote Similarity | 0.5818 | NPC257511 |
Remote Similarity | 0.5817 | NPC215747 |
Remote Similarity | 0.5817 | NPC192939 |
Remote Similarity | 0.5815 | NPC274732 |
Remote Similarity | 0.5815 | NPC305984 |
Remote Similarity | 0.5814 | NPC194967 |
Remote Similarity | 0.5813 | NPC85482 |
Remote Similarity | 0.5812 | NPC470824 |
Remote Similarity | 0.5811 | NPC470931 |
Remote Similarity | 0.5811 | NPC205926 |
Remote Similarity | 0.5808 | NPC29647 |
Remote Similarity | 0.5808 | NPC174760 |
Remote Similarity | 0.5808 | NPC37205 |
Remote Similarity | 0.5808 | NPC160931 |
Remote Similarity | 0.5799 | NPC311357 |
Remote Similarity | 0.5799 | NPC295898 |
Remote Similarity | 0.5797 | NPC265383 |
Remote Similarity | 0.5796 | NPC66191 |
Remote Similarity | 0.5796 | NPC316297 |
Remote Similarity | 0.5796 | NPC314817 |
Remote Similarity | 0.5794 | NPC307963 |
Remote Similarity | 0.5789 | NPC190007 |
Remote Similarity | 0.5787 | NPC315257 |
Remote Similarity | 0.5784 | NPC184437 |
Remote Similarity | 0.5784 | NPC130921 |
Remote Similarity | 0.5782 | NPC180253 |
Remote Similarity | 0.5782 | NPC219170 |
Remote Similarity | 0.5781 | NPC9373 |
Remote Similarity | 0.578 | NPC329793 |
Remote Similarity | 0.578 | NPC315957 |
Remote Similarity | 0.5779 | NPC79328 |
Remote Similarity | 0.5778 | NPC119722 |
Remote Similarity | 0.5778 | NPC325013 |
Remote Similarity | 0.5775 | NPC477526 |
Remote Similarity | 0.5773 | NPC223427 |
Remote Similarity | 0.5769 | NPC28368 |
Remote Similarity | 0.5767 | NPC314113 |
Remote Similarity | 0.5767 | NPC230313 |
Remote Similarity | 0.5767 | NPC29472 |
Remote Similarity | 0.5767 | NPC243626 |
Remote Similarity | 0.5764 | NPC257354 |
Remote Similarity | 0.5763 | NPC41801 |
Remote Similarity | 0.5762 | NPC28425 |
Remote Similarity | 0.5762 | NPC276060 |
Remote Similarity | 0.576 | NPC100863 |
Remote Similarity | 0.5755 | NPC224293 |
Remote Similarity | 0.5754 | NPC471314 |
Remote Similarity | 0.5754 | NPC471315 |
Remote Similarity | 0.5753 | NPC472330 |
Remote Similarity | 0.5753 | NPC472329 |
Remote Similarity | 0.5752 | NPC471741 |
Remote Similarity | 0.5751 | NPC245974 |
Remote Similarity | 0.5749 | NPC72980 |
Remote Similarity | 0.5747 | NPC285558 |
Remote Similarity | 0.5747 | NPC14339 |
Remote Similarity | 0.5742 | NPC212535 |
Remote Similarity | 0.5742 | NPC176127 |
Remote Similarity | 0.5742 | NPC311936 |
Remote Similarity | 0.5741 | NPC251090 |
TTD   | DAP000848 |
DrugBank   | DB06288 |
ChEMBL   | CHEMBL243712 |
IUPHAR/BPS   | 963 |
PharmaGKB   | PA162565877 |
KEGG Drug   | D07310 |
PubChem CID   | 2159 |
ChEBI   | 64045 |
CAS Number   | 71675-85-9 |
Molecular Weight   | 369.17 |
ALogP   | -1.4173 |
MLogP   | 2.45 |
XLogP   | 1.948 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 12 |
TPSA   | 113.6 |
RO5 Violation   | 0 |