Drug ID:   | NPD7315 |
Drug Name:   | |
Molecular Formula:   | C29H41NO7 |
Canonical SMILES:   | COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=NC1CCC(CC1)C(=O)O)O |
Standard InCHI:   | InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21?,23-,24?/m0/s1 |
Standard InCHIKey:   | ZTWZVMIYIIVABD-RZMWZJFBSA-N |
Max Developmental Stage:   | Approved |
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 | 0.7816 | NPC88378 |
Intermediate Similarity | 0.7816 | NPC211713 |
Intermediate Similarity | 0.7706 | NPC67080 |
Intermediate Similarity | 0.7643 | NPC470392 |
Intermediate Similarity | 0.7622 | NPC313414 |
Intermediate Similarity | 0.7616 | NPC71205 |
Intermediate Similarity | 0.7405 | NPC470642 |
Intermediate Similarity | 0.7391 | NPC471395 |
Intermediate Similarity | 0.7386 | NPC326278 |
Intermediate Similarity | 0.7368 | NPC207675 |
Intermediate Similarity | 0.7368 | NPC56635 |
Intermediate Similarity | 0.7368 | NPC212699 |
Intermediate Similarity | 0.7365 | NPC132771 |
Intermediate Similarity | 0.7356 | NPC471394 |
Intermediate Similarity | 0.7356 | NPC293164 |
Intermediate Similarity | 0.7345 | NPC327694 |
Intermediate Similarity | 0.7318 | NPC477115 |
Intermediate Similarity | 0.7303 | NPC318472 |
Intermediate Similarity | 0.7268 | NPC115906 |
Intermediate Similarity | 0.7262 | NPC223185 |
Intermediate Similarity | 0.7241 | NPC156348 |
Intermediate Similarity | 0.7235 | NPC95990 |
Intermediate Similarity | 0.7229 | NPC155552 |
Intermediate Similarity | 0.7228 | NPC229234 |
Intermediate Similarity | 0.7211 | NPC66909 |
Intermediate Similarity | 0.7204 | NPC475919 |
Intermediate Similarity | 0.7204 | NPC474661 |
Intermediate Similarity | 0.7176 | NPC237208 |
Intermediate Similarity | 0.7176 | NPC286038 |
Intermediate Similarity | 0.7174 | NPC477816 |
Intermediate Similarity | 0.7167 | NPC474953 |
Intermediate Similarity | 0.7151 | NPC214629 |
Intermediate Similarity | 0.7135 | NPC66991 |
Intermediate Similarity | 0.7135 | NPC315542 |
Intermediate Similarity | 0.7126 | NPC473236 |
Intermediate Similarity | 0.7125 | NPC478147 |
Intermediate Similarity | 0.712 | NPC475794 |
Intermediate Similarity | 0.7119 | NPC15506 |
Intermediate Similarity | 0.7118 | NPC134621 |
Intermediate Similarity | 0.7118 | NPC29577 |
Intermediate Similarity | 0.7112 | NPC162694 |
Intermediate Similarity | 0.711 | NPC261659 |
Intermediate Similarity | 0.711 | NPC58661 |
Intermediate Similarity | 0.7108 | NPC307883 |
Intermediate Similarity | 0.7104 | NPC35680 |
Intermediate Similarity | 0.7102 | NPC55463 |
Intermediate Similarity | 0.7102 | NPC166116 |
Intermediate Similarity | 0.7095 | NPC3906 |
Intermediate Similarity | 0.7093 | NPC478189 |
Intermediate Similarity | 0.7093 | NPC253591 |
Intermediate Similarity | 0.7092 | NPC476500 |
Intermediate Similarity | 0.7083 | NPC253722 |
Intermediate Similarity | 0.7083 | NPC31751 |
Intermediate Similarity | 0.7083 | NPC253481 |
Intermediate Similarity | 0.7081 | NPC474607 |
Intermediate Similarity | 0.7074 | NPC141440 |
Intermediate Similarity | 0.7073 | NPC4982 |
Intermediate Similarity | 0.7073 | NPC300776 |
Intermediate Similarity | 0.7073 | NPC176814 |
Intermediate Similarity | 0.7073 | NPC68779 |
Intermediate Similarity | 0.7073 | NPC5310 |
Intermediate Similarity | 0.7073 | NPC213122 |
Intermediate Similarity | 0.7071 | NPC476496 |
Intermediate Similarity | 0.7063 | NPC223807 |
Intermediate Similarity | 0.7059 | NPC34780 |
Intermediate Similarity | 0.7059 | NPC290404 |
Intermediate Similarity | 0.7059 | NPC95123 |
Intermediate Similarity | 0.7059 | NPC169942 |
Intermediate Similarity | 0.7059 | NPC66404 |
Intermediate Similarity | 0.7056 | NPC326895 |
Intermediate Similarity | 0.7053 | NPC94499 |
Intermediate Similarity | 0.7052 | NPC146014 |
Intermediate Similarity | 0.7052 | NPC229882 |
Intermediate Similarity | 0.7052 | NPC158635 |
Intermediate Similarity | 0.7049 | NPC91043 |
Intermediate Similarity | 0.7048 | NPC281780 |
Intermediate Similarity | 0.7045 | NPC186316 |
Intermediate Similarity | 0.7043 | NPC474650 |
Intermediate Similarity | 0.7041 | NPC273657 |
Intermediate Similarity | 0.7041 | NPC106920 |
Intermediate Similarity | 0.7037 | NPC45191 |
Intermediate Similarity | 0.7037 | NPC475102 |
Intermediate Similarity | 0.7037 | NPC249425 |
Intermediate Similarity | 0.7035 | NPC142863 |
Intermediate Similarity | 0.7033 | NPC227683 |
Intermediate Similarity | 0.7033 | NPC167231 |
Intermediate Similarity | 0.7033 | NPC215802 |
Intermediate Similarity | 0.703 | NPC211386 |
Intermediate Similarity | 0.7024 | NPC29599 |
Intermediate Similarity | 0.7024 | NPC100675 |
Intermediate Similarity | 0.7024 | NPC51181 |
Intermediate Similarity | 0.7022 | NPC209473 |
Intermediate Similarity | 0.7022 | NPC329743 |
Intermediate Similarity | 0.7021 | NPC230098 |
Intermediate Similarity | 0.702 | NPC106840 |
Intermediate Similarity | 0.702 | NPC476495 |
Intermediate Similarity | 0.702 | NPC94687 |
Intermediate Similarity | 0.7011 | NPC60413 |
Intermediate Similarity | 0.7006 | NPC478055 |
Intermediate Similarity | 0.7006 | NPC265335 |
Intermediate Similarity | 0.7006 | NPC474983 |
Intermediate Similarity | 0.7005 | NPC475981 |
Intermediate Similarity | 0.7005 | NPC474746 |
Intermediate Similarity | 0.7 | NPC474599 |
Intermediate Similarity | 0.7 | NPC319549 |
Intermediate Similarity | 0.7 | NPC474036 |
Intermediate Similarity | 0.7 | NPC196091 |
Intermediate Similarity | 0.7 | NPC226708 |
Remote Similarity | 0.6995 | NPC475976 |
Remote Similarity | 0.6994 | NPC477698 |
Remote Similarity | 0.6994 | NPC146388 |
Remote Similarity | 0.6994 | NPC125570 |
Remote Similarity | 0.6989 | NPC476443 |
Remote Similarity | 0.6989 | NPC133817 |
Remote Similarity | 0.6989 | NPC298339 |
Remote Similarity | 0.6985 | NPC293347 |
Remote Similarity | 0.6984 | NPC64140 |
Remote Similarity | 0.6984 | NPC174122 |
Remote Similarity | 0.6983 | NPC73422 |
Remote Similarity | 0.6983 | NPC47623 |
Remote Similarity | 0.6983 | NPC310399 |
Remote Similarity | 0.6979 | NPC33256 |
Remote Similarity | 0.6978 | NPC164608 |
Remote Similarity | 0.6975 | NPC241354 |
Remote Similarity | 0.6974 | NPC64576 |
Remote Similarity | 0.6974 | NPC254045 |
Remote Similarity | 0.6974 | NPC201055 |
Remote Similarity | 0.6974 | NPC151470 |
Remote Similarity | 0.6971 | NPC56184 |
Remote Similarity | 0.697 | NPC311339 |
Remote Similarity | 0.697 | NPC37065 |
Remote Similarity | 0.6966 | NPC475780 |
Remote Similarity | 0.6964 | NPC66518 |
Remote Similarity | 0.6961 | NPC134047 |
Remote Similarity | 0.6961 | NPC173729 |
Remote Similarity | 0.6961 | NPC284842 |
Remote Similarity | 0.6961 | NPC223006 |
Remote Similarity | 0.6961 | NPC272750 |
Remote Similarity | 0.6957 | NPC296712 |
Remote Similarity | 0.6954 | NPC474305 |
Remote Similarity | 0.6954 | NPC233267 |
Remote Similarity | 0.6954 | NPC291049 |
Remote Similarity | 0.6954 | NPC6923 |
Remote Similarity | 0.6952 | NPC206061 |
Remote Similarity | 0.6951 | NPC169766 |
Remote Similarity | 0.6946 | NPC131198 |
Remote Similarity | 0.6946 | NPC98804 |
Remote Similarity | 0.6946 | NPC471069 |
Remote Similarity | 0.6946 | NPC308976 |
Remote Similarity | 0.6946 | NPC471068 |
Remote Similarity | 0.6944 | NPC90336 |
Remote Similarity | 0.6941 | NPC470273 |
Remote Similarity | 0.6941 | NPC469579 |
Remote Similarity | 0.6941 | NPC105648 |
Remote Similarity | 0.6941 | NPC477697 |
Remote Similarity | 0.6941 | NPC96692 |
Remote Similarity | 0.6941 | NPC250755 |
Remote Similarity | 0.6941 | NPC470811 |
Remote Similarity | 0.6941 | NPC477696 |
Remote Similarity | 0.694 | NPC471859 |
Remote Similarity | 0.6939 | NPC286135 |
Remote Similarity | 0.6936 | NPC182119 |
Remote Similarity | 0.6936 | NPC477879 |
Remote Similarity | 0.6936 | NPC473428 |
Remote Similarity | 0.6932 | NPC205392 |
Remote Similarity | 0.6932 | NPC105942 |
Remote Similarity | 0.6932 | NPC299706 |
Remote Similarity | 0.6932 | NPC115466 |
Remote Similarity | 0.6932 | NPC245615 |
Remote Similarity | 0.6932 | NPC273483 |
Remote Similarity | 0.6932 | NPC61604 |
Remote Similarity | 0.6931 | NPC234069 |
Remote Similarity | 0.6928 | NPC72796 |
Remote Similarity | 0.6928 | NPC252343 |
Remote Similarity | 0.6928 | NPC44245 |
Remote Similarity | 0.6928 | NPC113295 |
Remote Similarity | 0.6928 | NPC470990 |
Remote Similarity | 0.6923 | NPC166137 |
Remote Similarity | 0.6923 | NPC282291 |
Remote Similarity | 0.6919 | NPC30890 |
Remote Similarity | 0.6919 | NPC80472 |
Remote Similarity | 0.6919 | NPC3982 |
Remote Similarity | 0.6919 | NPC474470 |
Remote Similarity | 0.6915 | NPC276120 |
Remote Similarity | 0.6914 | NPC119252 |
Remote Similarity | 0.6914 | NPC231668 |
Remote Similarity | 0.6914 | NPC309979 |
Remote Similarity | 0.6914 | NPC140133 |
Remote Similarity | 0.6914 | NPC164082 |
Remote Similarity | 0.6914 | NPC178048 |
Remote Similarity | 0.6914 | NPC307780 |
Remote Similarity | 0.6909 | NPC205915 |
Remote Similarity | 0.6907 | NPC14622 |
Remote Similarity | 0.6907 | NPC70290 |
Remote Similarity | 0.6907 | NPC215098 |
Remote Similarity | 0.6907 | NPC73020 |
Remote Similarity | 0.6907 | NPC124302 |
Remote Similarity | 0.6907 | NPC46744 |
Remote Similarity | 0.6906 | NPC144557 |
Remote Similarity | 0.6906 | NPC261184 |
Molecular Weight   | 515.29 |
ALogP   | -1.7633 |
MLogP   | 3.77 |
XLogP   | 5.112 |
HDA   | 7 |
HBD   | 2 |
Rotatable Bonds   | 16 |
TPSA   | 114.65 |
RO5 Violation   | 2 |