Drug ID:   | NPD4219 |
Drug Name:   | Retinol |
Molecular Formula:   | C20H30O |
Canonical SMILES:   | OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C |
Standard InCHI:   | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
Standard InCHIKey:   | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
High Similarity | 1.0 | NPC249645 |
High Similarity | 1.0 | NPC55412 |
Intermediate Similarity | 0.8421 | NPC11130 |
Intermediate Similarity | 0.8167 | NPC469728 |
Intermediate Similarity | 0.8167 | NPC317177 |
Intermediate Similarity | 0.8167 | NPC317025 |
Intermediate Similarity | 0.8167 | NPC329416 |
Intermediate Similarity | 0.8167 | NPC326645 |
Intermediate Similarity | 0.8148 | NPC182102 |
Intermediate Similarity | 0.8148 | NPC26960 |
Intermediate Similarity | 0.807 | NPC298299 |
Intermediate Similarity | 0.8 | NPC244038 |
Intermediate Similarity | 0.8 | NPC176621 |
Intermediate Similarity | 0.7833 | NPC309825 |
Intermediate Similarity | 0.7797 | NPC208749 |
Intermediate Similarity | 0.7797 | NPC321568 |
Intermediate Similarity | 0.7797 | NPC281986 |
Intermediate Similarity | 0.7797 | NPC22019 |
Intermediate Similarity | 0.7627 | NPC48891 |
Intermediate Similarity | 0.7619 | NPC110241 |
Intermediate Similarity | 0.7619 | NPC226066 |
Intermediate Similarity | 0.7547 | NPC138935 |
Intermediate Similarity | 0.7538 | NPC254886 |
Intermediate Similarity | 0.7538 | NPC45782 |
Intermediate Similarity | 0.7538 | NPC114651 |
Intermediate Similarity | 0.7536 | NPC69383 |
Intermediate Similarity | 0.7536 | NPC171148 |
Intermediate Similarity | 0.7536 | NPC313179 |
Intermediate Similarity | 0.7458 | NPC329686 |
Intermediate Similarity | 0.7419 | NPC471081 |
Intermediate Similarity | 0.7419 | NPC47840 |
Intermediate Similarity | 0.7419 | NPC234264 |
Intermediate Similarity | 0.7385 | NPC149680 |
Intermediate Similarity | 0.7353 | NPC95863 |
Intermediate Similarity | 0.7344 | NPC96793 |
Intermediate Similarity | 0.7344 | NPC323424 |
Intermediate Similarity | 0.7344 | NPC107540 |
Intermediate Similarity | 0.7333 | NPC473865 |
Intermediate Similarity | 0.7333 | NPC474643 |
Intermediate Similarity | 0.7321 | NPC17810 |
Intermediate Similarity | 0.7313 | NPC471560 |
Intermediate Similarity | 0.7302 | NPC475251 |
Intermediate Similarity | 0.7273 | NPC171225 |
Intermediate Similarity | 0.7273 | NPC180575 |
Intermediate Similarity | 0.7273 | NPC68703 |
Intermediate Similarity | 0.7273 | NPC69649 |
Intermediate Similarity | 0.7246 | NPC130665 |
Intermediate Similarity | 0.7241 | NPC35756 |
Intermediate Similarity | 0.7241 | NPC208638 |
Intermediate Similarity | 0.7231 | NPC187619 |
Intermediate Similarity | 0.7231 | NPC308844 |
Intermediate Similarity | 0.7206 | NPC34834 |
Intermediate Similarity | 0.7188 | NPC124112 |
Intermediate Similarity | 0.7167 | NPC251666 |
Intermediate Similarity | 0.7167 | NPC148163 |
Intermediate Similarity | 0.7167 | NPC474644 |
Intermediate Similarity | 0.7167 | NPC130209 |
Intermediate Similarity | 0.7167 | NPC232247 |
Intermediate Similarity | 0.7167 | NPC148216 |
Intermediate Similarity | 0.7164 | NPC32055 |
Intermediate Similarity | 0.7164 | NPC216460 |
Intermediate Similarity | 0.7164 | NPC96484 |
Intermediate Similarity | 0.7121 | NPC222366 |
Intermediate Similarity | 0.7121 | NPC286669 |
Intermediate Similarity | 0.7121 | NPC476039 |
Intermediate Similarity | 0.7119 | NPC69898 |
Intermediate Similarity | 0.7119 | NPC295777 |
Intermediate Similarity | 0.7097 | NPC181872 |
Intermediate Similarity | 0.7091 | NPC269074 |
Intermediate Similarity | 0.7077 | NPC290367 |
Intermediate Similarity | 0.7077 | NPC475704 |
Intermediate Similarity | 0.7059 | NPC474248 |
Intermediate Similarity | 0.7059 | NPC473893 |
Intermediate Similarity | 0.7031 | NPC225342 |
Intermediate Similarity | 0.7015 | NPC197805 |
Remote Similarity | 0.6984 | NPC122239 |
Remote Similarity | 0.6981 | NPC269823 |
Remote Similarity | 0.697 | NPC19569 |
Remote Similarity | 0.697 | NPC163678 |
Remote Similarity | 0.6957 | NPC189745 |
Remote Similarity | 0.6957 | NPC49422 |
Remote Similarity | 0.6957 | NPC9161 |
Remote Similarity | 0.6944 | NPC253190 |
Remote Similarity | 0.6923 | NPC182840 |
Remote Similarity | 0.6923 | NPC83200 |
Remote Similarity | 0.6923 | NPC255042 |
Remote Similarity | 0.6923 | NPC29091 |
Remote Similarity | 0.6923 | NPC15934 |
Remote Similarity | 0.6923 | NPC103213 |
Remote Similarity | 0.6923 | NPC81615 |
Remote Similarity | 0.6923 | NPC474155 |
Remote Similarity | 0.6923 | NPC473759 |
Remote Similarity | 0.6912 | NPC117804 |
Remote Similarity | 0.6912 | NPC471238 |
Remote Similarity | 0.6897 | NPC474460 |
Remote Similarity | 0.6875 | NPC240506 |
Remote Similarity | 0.6875 | NPC66020 |
Remote Similarity | 0.6866 | NPC242945 |
Remote Similarity | 0.6866 | NPC255781 |
Remote Similarity | 0.6866 | NPC250977 |
Remote Similarity | 0.6866 | NPC135650 |
Remote Similarity | 0.6866 | NPC259156 |
Remote Similarity | 0.6866 | NPC267027 |
Remote Similarity | 0.6866 | NPC279434 |
Remote Similarity | 0.6866 | NPC202017 |
Remote Similarity | 0.6852 | NPC206906 |
Remote Similarity | 0.6852 | NPC213538 |
Remote Similarity | 0.6852 | NPC256766 |
Remote Similarity | 0.6852 | NPC177470 |
Remote Similarity | 0.6849 | NPC91594 |
Remote Similarity | 0.6842 | NPC324170 |
Remote Similarity | 0.6818 | NPC225415 |
Remote Similarity | 0.6818 | NPC309300 |
Remote Similarity | 0.6812 | NPC167272 |
Remote Similarity | 0.6812 | NPC217570 |
Remote Similarity | 0.6812 | NPC90115 |
Remote Similarity | 0.6812 | NPC269877 |
Remote Similarity | 0.6806 | NPC471468 |
Remote Similarity | 0.678 | NPC473672 |
Remote Similarity | 0.678 | NPC474495 |
Remote Similarity | 0.678 | NPC59408 |
Remote Similarity | 0.678 | NPC71053 |
Remote Similarity | 0.6774 | NPC4881 |
Remote Similarity | 0.6769 | NPC207007 |
Remote Similarity | 0.6769 | NPC68679 |
Remote Similarity | 0.6769 | NPC321867 |
Remote Similarity | 0.6765 | NPC106613 |
Remote Similarity | 0.6765 | NPC96962 |
Remote Similarity | 0.6761 | NPC68443 |
Remote Similarity | 0.6761 | NPC474743 |
Remote Similarity | 0.6757 | NPC167891 |
Remote Similarity | 0.6757 | NPC83351 |
Remote Similarity | 0.6753 | NPC470384 |
Remote Similarity | 0.6727 | NPC116934 |
Remote Similarity | 0.6724 | NPC85079 |
Remote Similarity | 0.6724 | NPC31194 |
Remote Similarity | 0.6724 | NPC248884 |
Remote Similarity | 0.6719 | NPC475931 |
Remote Similarity | 0.6716 | NPC268039 |
Remote Similarity | 0.6716 | NPC287339 |
Remote Similarity | 0.6716 | NPC107258 |
Remote Similarity | 0.6714 | NPC145498 |
Remote Similarity | 0.6712 | NPC247325 |
Remote Similarity | 0.6712 | NPC265588 |
Remote Similarity | 0.6712 | NPC471658 |
Remote Similarity | 0.6712 | NPC244488 |
Remote Similarity | 0.6711 | NPC6663 |
Remote Similarity | 0.6711 | NPC4166 |
Remote Similarity | 0.6667 | NPC68014 |
Remote Similarity | 0.6667 | NPC238485 |
Remote Similarity | 0.6667 | NPC208999 |
Remote Similarity | 0.6667 | NPC40417 |
Remote Similarity | 0.6667 | NPC201048 |
Remote Similarity | 0.6667 | NPC231310 |
Remote Similarity | 0.6667 | NPC55063 |
Remote Similarity | 0.6667 | NPC174956 |
Remote Similarity | 0.6667 | NPC306727 |
Remote Similarity | 0.6667 | NPC294358 |
Remote Similarity | 0.6667 | NPC19834 |
Remote Similarity | 0.6667 | NPC144023 |
Remote Similarity | 0.6667 | NPC476366 |
Remote Similarity | 0.6667 | NPC470800 |
Remote Similarity | 0.6623 | NPC202389 |
Remote Similarity | 0.6623 | NPC311092 |
Remote Similarity | 0.6622 | NPC473756 |
Remote Similarity | 0.6622 | NPC262747 |
Remote Similarity | 0.662 | NPC477792 |
Remote Similarity | 0.662 | NPC471268 |
Remote Similarity | 0.662 | NPC471271 |
Remote Similarity | 0.662 | NPC471272 |
Remote Similarity | 0.662 | NPC242001 |
Remote Similarity | 0.6618 | NPC326310 |
Remote Similarity | 0.6618 | NPC476406 |
Remote Similarity | 0.6618 | NPC162309 |
Remote Similarity | 0.6613 | NPC470893 |
Remote Similarity | 0.6613 | NPC227135 |
Remote Similarity | 0.661 | NPC473913 |
Remote Similarity | 0.661 | NPC474642 |
Remote Similarity | 0.661 | NPC249670 |
Remote Similarity | 0.661 | NPC72699 |
Remote Similarity | 0.6582 | NPC109528 |
Remote Similarity | 0.6579 | NPC234193 |
Remote Similarity | 0.6579 | NPC96362 |
Remote Similarity | 0.6575 | NPC32832 |
Remote Similarity | 0.6575 | NPC228978 |
Remote Similarity | 0.6571 | NPC239373 |
Remote Similarity | 0.6571 | NPC329989 |
Remote Similarity | 0.6567 | NPC4638 |
Remote Similarity | 0.6567 | NPC329698 |
Remote Similarity | 0.6567 | NPC300593 |
Remote Similarity | 0.6567 | NPC150162 |
Remote Similarity | 0.6562 | NPC155025 |
Remote Similarity | 0.6562 | NPC226848 |
Remote Similarity | 0.6562 | NPC10017 |
Remote Similarity | 0.6557 | NPC61177 |
Remote Similarity | 0.6557 | NPC165755 |
Remote Similarity | 0.6557 | NPC34577 |
Remote Similarity | 0.6552 | NPC124851 |
Remote Similarity | 0.6545 | NPC304151 |
Remote Similarity | 0.6533 | NPC474816 |
Molecular Weight   | 286.23 |
ALogP   | 3.7849 |
MLogP   | 3.55 |
XLogP   | 6.158 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 11 |
TPSA   | 20.23 |
RO5 Violation   | 1 |