Drug ID:   | NPD7265 |
Drug Name:   | miproxifene |
Molecular Formula:   | C29H36NO5P |
Canonical SMILES:   | CC/C(=C(c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C |
Standard InCHI:   | InChI=1S/C29H36NO5P/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(25-13-17-27(18-14-25)35-36(31,32)33)24-11-15-26(16-12-24)34-20-19-30(4)5/h7-18,21H,6,19-20H2,1-5H3,(H2,31,32,33)/b29-28+ |
Standard InCHIKey:   | QZUHFMXJZOUZFI-ZQHSETAFSA-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 | 0.8462 | NPC255253 |
Intermediate Similarity | 0.7862 | NPC247298 |
Intermediate Similarity | 0.7755 | NPC245974 |
Intermediate Similarity | 0.7744 | NPC321133 |
Intermediate Similarity | 0.7708 | NPC83289 |
Intermediate Similarity | 0.7708 | NPC212850 |
Intermediate Similarity | 0.7708 | NPC189724 |
Intermediate Similarity | 0.7612 | NPC263835 |
Intermediate Similarity | 0.7537 | NPC256369 |
Intermediate Similarity | 0.748 | NPC326801 |
Intermediate Similarity | 0.7465 | NPC274732 |
Intermediate Similarity | 0.7465 | NPC471953 |
Intermediate Similarity | 0.7445 | NPC188997 |
Intermediate Similarity | 0.7442 | NPC474272 |
Intermediate Similarity | 0.7402 | NPC470393 |
Intermediate Similarity | 0.7391 | NPC328267 |
Intermediate Similarity | 0.7391 | NPC211218 |
Intermediate Similarity | 0.7391 | NPC261992 |
Intermediate Similarity | 0.7388 | NPC25648 |
Intermediate Similarity | 0.7364 | NPC201959 |
Intermediate Similarity | 0.7361 | NPC469610 |
Intermediate Similarity | 0.736 | NPC316797 |
Intermediate Similarity | 0.7353 | NPC103916 |
Intermediate Similarity | 0.7344 | NPC113457 |
Intermediate Similarity | 0.7343 | NPC8899 |
Intermediate Similarity | 0.7343 | NPC472590 |
Intermediate Similarity | 0.7339 | NPC313918 |
Intermediate Similarity | 0.7328 | NPC166837 |
Intermediate Similarity | 0.7323 | NPC38079 |
Intermediate Similarity | 0.7323 | NPC108875 |
Intermediate Similarity | 0.7313 | NPC9341 |
Intermediate Similarity | 0.7313 | NPC81067 |
Intermediate Similarity | 0.7302 | NPC300166 |
Intermediate Similarity | 0.7292 | NPC469611 |
Intermediate Similarity | 0.7286 | NPC320242 |
Intermediate Similarity | 0.7279 | NPC43275 |
Intermediate Similarity | 0.7279 | NPC59561 |
Intermediate Similarity | 0.7279 | NPC172253 |
Intermediate Similarity | 0.7244 | NPC192596 |
Intermediate Similarity | 0.7239 | NPC47194 |
Intermediate Similarity | 0.7239 | NPC303370 |
Intermediate Similarity | 0.7234 | NPC283049 |
Intermediate Similarity | 0.7234 | NPC50315 |
Intermediate Similarity | 0.7234 | NPC26879 |
Intermediate Similarity | 0.7234 | NPC230479 |
Intermediate Similarity | 0.7222 | NPC474200 |
Intermediate Similarity | 0.7218 | NPC165106 |
Intermediate Similarity | 0.7218 | NPC26524 |
Intermediate Similarity | 0.7214 | NPC256015 |
Intermediate Similarity | 0.7214 | NPC62101 |
Intermediate Similarity | 0.7214 | NPC294156 |
Intermediate Similarity | 0.7214 | NPC95733 |
Intermediate Similarity | 0.7206 | NPC474040 |
Intermediate Similarity | 0.7203 | NPC93962 |
Intermediate Similarity | 0.7194 | NPC150026 |
Intermediate Similarity | 0.7172 | NPC325568 |
Intermediate Similarity | 0.7172 | NPC189482 |
Intermediate Similarity | 0.7165 | NPC51633 |
Intermediate Similarity | 0.7163 | NPC29477 |
Intermediate Similarity | 0.7153 | NPC249425 |
Intermediate Similarity | 0.7143 | NPC93783 |
Intermediate Similarity | 0.7143 | NPC231884 |
Intermediate Similarity | 0.7143 | NPC42793 |
Intermediate Similarity | 0.7143 | NPC38761 |
Intermediate Similarity | 0.7143 | NPC471576 |
Intermediate Similarity | 0.7143 | NPC167944 |
Intermediate Similarity | 0.7143 | NPC76465 |
Intermediate Similarity | 0.7133 | NPC38664 |
Intermediate Similarity | 0.7133 | NPC53986 |
Intermediate Similarity | 0.7133 | NPC283079 |
Intermediate Similarity | 0.7132 | NPC323948 |
Intermediate Similarity | 0.7132 | NPC473855 |
Intermediate Similarity | 0.7122 | NPC475839 |
Intermediate Similarity | 0.7122 | NPC54972 |
Intermediate Similarity | 0.7121 | NPC95977 |
Intermediate Similarity | 0.7113 | NPC17837 |
Intermediate Similarity | 0.7113 | NPC304630 |
Intermediate Similarity | 0.7111 | NPC475815 |
Intermediate Similarity | 0.7111 | NPC473264 |
Intermediate Similarity | 0.7103 | NPC471517 |
Intermediate Similarity | 0.7099 | NPC75440 |
Intermediate Similarity | 0.7095 | NPC141717 |
Intermediate Similarity | 0.7095 | NPC231163 |
Intermediate Similarity | 0.7095 | NPC318591 |
Intermediate Similarity | 0.7095 | NPC77861 |
Intermediate Similarity | 0.7095 | NPC471522 |
Intermediate Similarity | 0.709 | NPC141003 |
Intermediate Similarity | 0.709 | NPC35344 |
Intermediate Similarity | 0.7075 | NPC141023 |
Intermediate Similarity | 0.7075 | NPC476617 |
Intermediate Similarity | 0.7075 | NPC184269 |
Intermediate Similarity | 0.7075 | NPC476615 |
Intermediate Similarity | 0.7075 | NPC476616 |
Intermediate Similarity | 0.7071 | NPC36016 |
Intermediate Similarity | 0.7071 | NPC152946 |
Intermediate Similarity | 0.7071 | NPC100099 |
Intermediate Similarity | 0.7059 | NPC312105 |
Intermediate Similarity | 0.7059 | NPC33900 |
Intermediate Similarity | 0.705 | NPC212559 |
Intermediate Similarity | 0.705 | NPC83279 |
Intermediate Similarity | 0.7047 | NPC470307 |
Intermediate Similarity | 0.7047 | NPC470308 |
Intermediate Similarity | 0.7042 | NPC102540 |
Intermediate Similarity | 0.7042 | NPC103420 |
Intermediate Similarity | 0.7042 | NPC285040 |
Intermediate Similarity | 0.7042 | NPC228771 |
Intermediate Similarity | 0.7042 | NPC141739 |
Intermediate Similarity | 0.7042 | NPC266705 |
Intermediate Similarity | 0.7042 | NPC17809 |
Intermediate Similarity | 0.7042 | NPC81641 |
Intermediate Similarity | 0.7042 | NPC29008 |
Intermediate Similarity | 0.7042 | NPC28476 |
Intermediate Similarity | 0.7042 | NPC133407 |
Intermediate Similarity | 0.7042 | NPC188022 |
Intermediate Similarity | 0.7042 | NPC136112 |
Intermediate Similarity | 0.7029 | NPC474320 |
Intermediate Similarity | 0.7029 | NPC163036 |
Intermediate Similarity | 0.7021 | NPC307020 |
Intermediate Similarity | 0.7021 | NPC470887 |
Intermediate Similarity | 0.7021 | NPC317769 |
Intermediate Similarity | 0.7021 | NPC31344 |
Intermediate Similarity | 0.7014 | NPC277458 |
Intermediate Similarity | 0.7014 | NPC47283 |
Intermediate Similarity | 0.7014 | NPC307050 |
Intermediate Similarity | 0.7014 | NPC39064 |
Intermediate Similarity | 0.7008 | NPC100870 |
Intermediate Similarity | 0.7007 | NPC211352 |
Intermediate Similarity | 0.7 | NPC126935 |
Intermediate Similarity | 0.7 | NPC172676 |
Intermediate Similarity | 0.7 | NPC312713 |
Intermediate Similarity | 0.7 | NPC57268 |
Intermediate Similarity | 0.7 | NPC260842 |
Intermediate Similarity | 0.7 | NPC193364 |
Intermediate Similarity | 0.7 | NPC65933 |
Intermediate Similarity | 0.7 | NPC216929 |
Intermediate Similarity | 0.7 | NPC24635 |
Remote Similarity | 0.6993 | NPC145304 |
Remote Similarity | 0.6993 | NPC218323 |
Remote Similarity | 0.6993 | NPC276212 |
Remote Similarity | 0.6992 | NPC475852 |
Remote Similarity | 0.6986 | NPC293203 |
Remote Similarity | 0.6986 | NPC68205 |
Remote Similarity | 0.6986 | NPC181497 |
Remote Similarity | 0.6986 | NPC196765 |
Remote Similarity | 0.6986 | NPC150011 |
Remote Similarity | 0.6986 | NPC271945 |
Remote Similarity | 0.6986 | NPC268917 |
Remote Similarity | 0.6986 | NPC476166 |
Remote Similarity | 0.6986 | NPC247018 |
Remote Similarity | 0.6986 | NPC206224 |
Remote Similarity | 0.6986 | NPC470392 |
Remote Similarity | 0.6986 | NPC236014 |
Remote Similarity | 0.6986 | NPC307123 |
Remote Similarity | 0.6986 | NPC228369 |
Remote Similarity | 0.6986 | NPC118683 |
Remote Similarity | 0.6986 | NPC12875 |
Remote Similarity | 0.6986 | NPC164574 |
Remote Similarity | 0.6986 | NPC244888 |
Remote Similarity | 0.6986 | NPC280653 |
Remote Similarity | 0.6986 | NPC211413 |
Remote Similarity | 0.6986 | NPC153019 |
Remote Similarity | 0.6986 | NPC17343 |
Remote Similarity | 0.6986 | NPC164804 |
Remote Similarity | 0.6986 | NPC129784 |
Remote Similarity | 0.6986 | NPC118419 |
Remote Similarity | 0.6986 | NPC300875 |
Remote Similarity | 0.6986 | NPC97870 |
Remote Similarity | 0.6986 | NPC118114 |
Remote Similarity | 0.6986 | NPC207892 |
Remote Similarity | 0.6986 | NPC129106 |
Remote Similarity | 0.6985 | NPC51345 |
Remote Similarity | 0.6978 | NPC232316 |
Remote Similarity | 0.6978 | NPC41801 |
Remote Similarity | 0.6978 | NPC95614 |
Remote Similarity | 0.6978 | NPC165133 |
Remote Similarity | 0.6978 | NPC117780 |
Remote Similarity | 0.6978 | NPC242885 |
Remote Similarity | 0.6978 | NPC227217 |
Remote Similarity | 0.6978 | NPC56214 |
Remote Similarity | 0.6977 | NPC12870 |
Remote Similarity | 0.6977 | NPC24327 |
Remote Similarity | 0.6974 | NPC186033 |
Remote Similarity | 0.6972 | NPC86502 |
Remote Similarity | 0.6972 | NPC106914 |
Remote Similarity | 0.6972 | NPC197351 |
Remote Similarity | 0.6972 | NPC246648 |
Remote Similarity | 0.6972 | NPC134195 |
Remote Similarity | 0.697 | NPC146530 |
Remote Similarity | 0.6963 | NPC123175 |
Remote Similarity | 0.6963 | NPC176730 |
Remote Similarity | 0.6962 | NPC56635 |
Remote Similarity | 0.6959 | NPC11147 |
Remote Similarity | 0.6957 | NPC474214 |
Remote Similarity | 0.6954 | NPC266197 |
Remote Similarity | 0.6954 | NPC291101 |
Remote Similarity | 0.695 | NPC85488 |
Remote Similarity | 0.695 | NPC471315 |
Remote Similarity | 0.695 | NPC71090 |
Remote Similarity | 0.695 | NPC255026 |
Remote Similarity | 0.695 | NPC471314 |
TTD   | DIB016678 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 509.23 |
ALogP   | 0.6472 |
MLogP   | 3.88 |
XLogP   | 8.909 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 18 |
TPSA   | 89.04 |
RO5 Violation   | 2 |