Drug ID:   | NPD4118 |
Drug Name:   | |
Molecular Formula:   | C20H26N2O |
Canonical SMILES:   | CCC1CC2CN3C1C(C2)c1[nH]c2c(c1CC3)cc(cc2)OC |
Standard InCHI:   | InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3 |
Standard InCHIKey:   | HSIBGVUMFOSJPD-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 |
---|---|---|
High Similarity | 0.9831 | NPC329793 |
High Similarity | 0.9462 | NPC471304 |
High Similarity | 0.9396 | NPC329747 |
High Similarity | 0.9211 | NPC478074 |
High Similarity | 0.9119 | NPC96321 |
High Similarity | 0.8989 | NPC176127 |
High Similarity | 0.8947 | NPC475910 |
High Similarity | 0.875 | NPC92111 |
High Similarity | 0.8711 | NPC208284 |
High Similarity | 0.8696 | NPC76748 |
High Similarity | 0.8663 | NPC478078 |
High Similarity | 0.8641 | NPC296527 |
High Similarity | 0.8636 | NPC473041 |
High Similarity | 0.8621 | NPC311906 |
High Similarity | 0.8585 | NPC475720 |
High Similarity | 0.8585 | NPC474192 |
High Similarity | 0.8579 | NPC176538 |
High Similarity | 0.8556 | NPC307963 |
High Similarity | 0.8542 | NPC223427 |
High Similarity | 0.8535 | NPC469928 |
High Similarity | 0.8511 | NPC131017 |
Intermediate Similarity | 0.8446 | NPC162484 |
Intermediate Similarity | 0.8424 | NPC84478 |
Intermediate Similarity | 0.8385 | NPC249040 |
Intermediate Similarity | 0.8384 | NPC94157 |
Intermediate Similarity | 0.8374 | NPC280272 |
Intermediate Similarity | 0.8368 | NPC251090 |
Intermediate Similarity | 0.8342 | NPC242928 |
Intermediate Similarity | 0.8341 | NPC475816 |
Intermediate Similarity | 0.8325 | NPC476116 |
Intermediate Similarity | 0.8308 | NPC285558 |
Intermediate Similarity | 0.8302 | NPC477066 |
Intermediate Similarity | 0.8265 | NPC472111 |
Intermediate Similarity | 0.8263 | NPC478081 |
Intermediate Similarity | 0.8263 | NPC473540 |
Intermediate Similarity | 0.8263 | NPC478082 |
Intermediate Similarity | 0.8263 | NPC477067 |
Intermediate Similarity | 0.8223 | NPC193777 |
Intermediate Similarity | 0.8214 | NPC475070 |
Intermediate Similarity | 0.8207 | NPC88363 |
Intermediate Similarity | 0.8187 | NPC72211 |
Intermediate Similarity | 0.8177 | NPC70259 |
Intermediate Similarity | 0.8159 | NPC469592 |
Intermediate Similarity | 0.8159 | NPC471080 |
Intermediate Similarity | 0.8154 | NPC267423 |
Intermediate Similarity | 0.8142 | NPC189812 |
Intermediate Similarity | 0.8142 | NPC329688 |
Intermediate Similarity | 0.8141 | NPC201697 |
Intermediate Similarity | 0.8135 | NPC70956 |
Intermediate Similarity | 0.8135 | NPC243834 |
Intermediate Similarity | 0.8125 | NPC43787 |
Intermediate Similarity | 0.8125 | NPC205934 |
Intermediate Similarity | 0.8118 | NPC474798 |
Intermediate Similarity | 0.8111 | NPC17437 |
Intermediate Similarity | 0.8098 | NPC132642 |
Intermediate Similarity | 0.8098 | NPC472099 |
Intermediate Similarity | 0.809 | NPC476465 |
Intermediate Similarity | 0.8081 | NPC475841 |
Intermediate Similarity | 0.8081 | NPC300156 |
Intermediate Similarity | 0.8081 | NPC45190 |
Intermediate Similarity | 0.8081 | NPC474145 |
Intermediate Similarity | 0.8079 | NPC152768 |
Intermediate Similarity | 0.8079 | NPC330009 |
Intermediate Similarity | 0.8079 | NPC148183 |
Intermediate Similarity | 0.8069 | NPC266931 |
Intermediate Similarity | 0.8061 | NPC476044 |
Intermediate Similarity | 0.8061 | NPC232727 |
Intermediate Similarity | 0.8053 | NPC246700 |
Intermediate Similarity | 0.8051 | NPC128823 |
Intermediate Similarity | 0.8042 | NPC171171 |
Intermediate Similarity | 0.8038 | NPC157931 |
Intermediate Similarity | 0.802 | NPC472098 |
Intermediate Similarity | 0.802 | NPC135887 |
Intermediate Similarity | 0.802 | NPC48353 |
Intermediate Similarity | 0.802 | NPC199277 |
Intermediate Similarity | 0.8019 | NPC473105 |
Intermediate Similarity | 0.801 | NPC123976 |
Intermediate Similarity | 0.801 | NPC315957 |
Intermediate Similarity | 0.801 | NPC167860 |
Intermediate Similarity | 0.8 | NPC469594 |
Intermediate Similarity | 0.799 | NPC13880 |
Intermediate Similarity | 0.798 | NPC476138 |
Intermediate Similarity | 0.798 | NPC245816 |
Intermediate Similarity | 0.796 | NPC473181 |
Intermediate Similarity | 0.7958 | NPC128751 |
Intermediate Similarity | 0.7951 | NPC305984 |
Intermediate Similarity | 0.7944 | NPC295228 |
Intermediate Similarity | 0.7941 | NPC470549 |
Intermediate Similarity | 0.7937 | NPC204717 |
Intermediate Similarity | 0.7933 | NPC26850 |
Intermediate Similarity | 0.7929 | NPC475112 |
Intermediate Similarity | 0.7929 | NPC291535 |
Intermediate Similarity | 0.7929 | NPC475085 |
Intermediate Similarity | 0.7927 | NPC99666 |
Intermediate Similarity | 0.7921 | NPC199667 |
Intermediate Similarity | 0.7917 | NPC469497 |
Intermediate Similarity | 0.7917 | NPC106833 |
Intermediate Similarity | 0.7902 | NPC170114 |
Intermediate Similarity | 0.7895 | NPC314002 |
Intermediate Similarity | 0.7892 | NPC478080 |
Intermediate Similarity | 0.7884 | NPC220765 |
Intermediate Similarity | 0.7867 | NPC473185 |
Intermediate Similarity | 0.7865 | NPC26872 |
Intermediate Similarity | 0.7854 | NPC81939 |
Intermediate Similarity | 0.7849 | NPC312872 |
Intermediate Similarity | 0.7843 | NPC473180 |
Intermediate Similarity | 0.7843 | NPC316981 |
Intermediate Similarity | 0.7828 | NPC19872 |
Intermediate Similarity | 0.7824 | NPC329858 |
Intermediate Similarity | 0.7822 | NPC82548 |
Intermediate Similarity | 0.782 | NPC227908 |
Intermediate Similarity | 0.7818 | NPC475666 |
Intermediate Similarity | 0.7811 | NPC476106 |
Intermediate Similarity | 0.7799 | NPC280799 |
Intermediate Similarity | 0.7789 | NPC19679 |
Intermediate Similarity | 0.7788 | NPC213530 |
Intermediate Similarity | 0.7788 | NPC193267 |
Intermediate Similarity | 0.7778 | NPC476041 |
Intermediate Similarity | 0.7778 | NPC304926 |
Intermediate Similarity | 0.7773 | NPC21638 |
Intermediate Similarity | 0.7772 | NPC53344 |
Intermediate Similarity | 0.7766 | NPC77555 |
Intermediate Similarity | 0.7766 | NPC153042 |
Intermediate Similarity | 0.7761 | NPC118832 |
Intermediate Similarity | 0.7761 | NPC470930 |
Intermediate Similarity | 0.7761 | NPC329708 |
Intermediate Similarity | 0.7761 | NPC165349 |
Intermediate Similarity | 0.7761 | NPC264166 |
Intermediate Similarity | 0.7761 | NPC274291 |
Intermediate Similarity | 0.7761 | NPC47059 |
Intermediate Similarity | 0.7757 | NPC475253 |
Intermediate Similarity | 0.7756 | NPC26679 |
Intermediate Similarity | 0.7751 | NPC477533 |
Intermediate Similarity | 0.7751 | NPC86078 |
Intermediate Similarity | 0.7746 | NPC314954 |
Intermediate Similarity | 0.7745 | NPC5145 |
Intermediate Similarity | 0.7745 | NPC11464 |
Intermediate Similarity | 0.7739 | NPC121772 |
Intermediate Similarity | 0.7739 | NPC11017 |
Intermediate Similarity | 0.773 | NPC317430 |
Intermediate Similarity | 0.7725 | NPC72980 |
Intermediate Similarity | 0.7714 | NPC310118 |
Intermediate Similarity | 0.7711 | NPC476098 |
Intermediate Similarity | 0.7708 | NPC94943 |
Intermediate Similarity | 0.7704 | NPC475190 |
Intermediate Similarity | 0.7703 | NPC473179 |
Intermediate Similarity | 0.7696 | NPC185782 |
Intermediate Similarity | 0.7696 | NPC469589 |
Intermediate Similarity | 0.7689 | NPC329982 |
Intermediate Similarity | 0.7685 | NPC180504 |
Intermediate Similarity | 0.7672 | NPC184964 |
Intermediate Similarity | 0.7668 | NPC204385 |
Intermediate Similarity | 0.7664 | NPC252251 |
Intermediate Similarity | 0.7663 | NPC118511 |
Intermediate Similarity | 0.7656 | NPC303658 |
Intermediate Similarity | 0.7656 | NPC46561 |
Intermediate Similarity | 0.7656 | NPC190007 |
Intermediate Similarity | 0.7653 | NPC133140 |
Intermediate Similarity | 0.7653 | NPC195268 |
Intermediate Similarity | 0.765 | NPC39370 |
Intermediate Similarity | 0.765 | NPC234197 |
Intermediate Similarity | 0.7644 | NPC206201 |
Intermediate Similarity | 0.7641 | NPC314333 |
Intermediate Similarity | 0.764 | NPC21605 |
Intermediate Similarity | 0.7639 | NPC473186 |
Intermediate Similarity | 0.7639 | NPC101543 |
Intermediate Similarity | 0.7639 | NPC469554 |
Intermediate Similarity | 0.7629 | NPC66083 |
Intermediate Similarity | 0.7624 | NPC475774 |
Intermediate Similarity | 0.7621 | NPC478083 |
Intermediate Similarity | 0.7617 | NPC473189 |
Intermediate Similarity | 0.7609 | NPC177404 |
Intermediate Similarity | 0.7606 | NPC474409 |
Intermediate Similarity | 0.7606 | NPC471294 |
Intermediate Similarity | 0.7604 | NPC212535 |
Intermediate Similarity | 0.76 | NPC476578 |
Intermediate Similarity | 0.76 | NPC476582 |
Intermediate Similarity | 0.76 | NPC287437 |
Intermediate Similarity | 0.76 | NPC4071 |
Intermediate Similarity | 0.7598 | NPC4687 |
Intermediate Similarity | 0.7598 | NPC249583 |
Intermediate Similarity | 0.7593 | NPC477531 |
Intermediate Similarity | 0.7585 | NPC264176 |
Intermediate Similarity | 0.7581 | NPC471762 |
Intermediate Similarity | 0.758 | NPC473183 |
Intermediate Similarity | 0.7576 | NPC276517 |
Intermediate Similarity | 0.7562 | NPC477019 |
Intermediate Similarity | 0.7561 | NPC470931 |
Intermediate Similarity | 0.756 | NPC183407 |
Intermediate Similarity | 0.7557 | NPC473868 |
Intermediate Similarity | 0.7557 | NPC63157 |
Intermediate Similarity | 0.7557 | NPC81175 |
Intermediate Similarity | 0.7551 | NPC95783 |
Intermediate Similarity | 0.7548 | NPC476287 |
Intermediate Similarity | 0.7548 | NPC39500 |
Intermediate Similarity | 0.7547 | NPC477532 |
Intermediate Similarity | 0.7546 | NPC209174 |
Intermediate Similarity | 0.7536 | NPC255110 |
Intermediate Similarity | 0.7536 | NPC187501 |
Intermediate Similarity | 0.7535 | NPC6215 |
Molecular Weight   | 310.20 |
ALogP   | -1.2608 |
MLogP   | 3.33 |
XLogP   | 3.58 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 28.26 |
RO5 Violation   | 0 |