Drug ID:   | NPD4102 |
Drug Name:   | Difemerine Hydrochloride |
Molecular Formula:   | C20H25NO3.ClH |
Canonical SMILES:   | CN(CC(OC(=O)C(c1ccccc1)(c1ccccc1)O)(C)C)C.Cl |
Standard InCHI:   | InChI=1S/C20H25NO3.ClH/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H |
Standard InCHIKey:   | QRHDDSUGMIAILK-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.8175 | NPC65310 |
Intermediate Similarity | 0.7913 | NPC160382 |
Intermediate Similarity | 0.7565 | NPC160548 |
Intermediate Similarity | 0.7565 | NPC175852 |
Intermediate Similarity | 0.7565 | NPC210529 |
Intermediate Similarity | 0.7537 | NPC313663 |
Intermediate Similarity | 0.75 | NPC156648 |
Intermediate Similarity | 0.7462 | NPC14141 |
Intermediate Similarity | 0.7462 | NPC471466 |
Intermediate Similarity | 0.7438 | NPC281604 |
Intermediate Similarity | 0.7436 | NPC316797 |
Intermediate Similarity | 0.7405 | NPC474847 |
Intermediate Similarity | 0.7405 | NPC4974 |
Intermediate Similarity | 0.7398 | NPC158282 |
Intermediate Similarity | 0.7377 | NPC158854 |
Intermediate Similarity | 0.7333 | NPC45191 |
Intermediate Similarity | 0.7333 | NPC105899 |
Intermediate Similarity | 0.7328 | NPC285394 |
Intermediate Similarity | 0.7317 | NPC95126 |
Intermediate Similarity | 0.7317 | NPC475002 |
Intermediate Similarity | 0.7311 | NPC255676 |
Intermediate Similarity | 0.7308 | NPC84281 |
Intermediate Similarity | 0.7308 | NPC213126 |
Intermediate Similarity | 0.7308 | NPC317474 |
Intermediate Similarity | 0.7308 | NPC291027 |
Intermediate Similarity | 0.7308 | NPC169485 |
Intermediate Similarity | 0.7299 | NPC475598 |
Intermediate Similarity | 0.7299 | NPC79465 |
Intermediate Similarity | 0.7299 | NPC90194 |
Intermediate Similarity | 0.7299 | NPC76785 |
Intermediate Similarity | 0.7299 | NPC476102 |
Intermediate Similarity | 0.7299 | NPC474811 |
Intermediate Similarity | 0.7299 | NPC474787 |
Intermediate Similarity | 0.7299 | NPC273907 |
Intermediate Similarity | 0.7299 | NPC474855 |
Intermediate Similarity | 0.7299 | NPC151706 |
Intermediate Similarity | 0.7299 | NPC9687 |
Intermediate Similarity | 0.7299 | NPC475318 |
Intermediate Similarity | 0.7299 | NPC293377 |
Intermediate Similarity | 0.7299 | NPC118099 |
Intermediate Similarity | 0.7299 | NPC260045 |
Intermediate Similarity | 0.7299 | NPC49577 |
Intermediate Similarity | 0.7244 | NPC212891 |
Intermediate Similarity | 0.7231 | NPC476184 |
Intermediate Similarity | 0.7231 | NPC476281 |
Intermediate Similarity | 0.7185 | NPC69496 |
Intermediate Similarity | 0.7185 | NPC217431 |
Intermediate Similarity | 0.7168 | NPC9822 |
Intermediate Similarity | 0.7164 | NPC199738 |
Intermediate Similarity | 0.7164 | NPC210950 |
Intermediate Similarity | 0.7154 | NPC243059 |
Intermediate Similarity | 0.7154 | NPC190663 |
Intermediate Similarity | 0.7154 | NPC476183 |
Intermediate Similarity | 0.7154 | NPC80150 |
Intermediate Similarity | 0.7154 | NPC280827 |
Intermediate Similarity | 0.7153 | NPC245836 |
Intermediate Similarity | 0.7153 | NPC233910 |
Intermediate Similarity | 0.7143 | NPC322387 |
Intermediate Similarity | 0.7132 | NPC311091 |
Intermediate Similarity | 0.7132 | NPC471033 |
Intermediate Similarity | 0.7121 | NPC476278 |
Intermediate Similarity | 0.712 | NPC66208 |
Intermediate Similarity | 0.7119 | NPC229242 |
Intermediate Similarity | 0.7119 | NPC322598 |
Intermediate Similarity | 0.7107 | NPC249067 |
Intermediate Similarity | 0.7105 | NPC86670 |
Intermediate Similarity | 0.7105 | NPC70940 |
Intermediate Similarity | 0.7105 | NPC274455 |
Intermediate Similarity | 0.7099 | NPC56634 |
Intermediate Similarity | 0.7097 | NPC65855 |
Intermediate Similarity | 0.7097 | NPC292758 |
Intermediate Similarity | 0.7087 | NPC221275 |
Intermediate Similarity | 0.7087 | NPC186933 |
Intermediate Similarity | 0.7087 | NPC469509 |
Intermediate Similarity | 0.7083 | NPC304873 |
Intermediate Similarity | 0.7083 | NPC25458 |
Intermediate Similarity | 0.7083 | NPC318154 |
Intermediate Similarity | 0.7068 | NPC476260 |
Intermediate Similarity | 0.7068 | NPC476241 |
Intermediate Similarity | 0.7063 | NPC48525 |
Intermediate Similarity | 0.7059 | NPC325497 |
Intermediate Similarity | 0.7059 | NPC217621 |
Intermediate Similarity | 0.7054 | NPC76308 |
Intermediate Similarity | 0.7054 | NPC325295 |
Intermediate Similarity | 0.7054 | NPC45794 |
Intermediate Similarity | 0.7049 | NPC269457 |
Intermediate Similarity | 0.7049 | NPC476198 |
Intermediate Similarity | 0.7045 | NPC142577 |
Intermediate Similarity | 0.7045 | NPC160493 |
Intermediate Similarity | 0.7043 | NPC317645 |
Intermediate Similarity | 0.7025 | NPC329556 |
Intermediate Similarity | 0.7016 | NPC31274 |
Intermediate Similarity | 0.7016 | NPC318327 |
Intermediate Similarity | 0.7015 | NPC476179 |
Intermediate Similarity | 0.7015 | NPC295664 |
Intermediate Similarity | 0.7015 | NPC476125 |
Intermediate Similarity | 0.7009 | NPC172925 |
Intermediate Similarity | 0.7 | NPC127741 |
Intermediate Similarity | 0.7 | NPC228400 |
Intermediate Similarity | 0.7 | NPC214200 |
Remote Similarity | 0.6992 | NPC108286 |
Remote Similarity | 0.6992 | NPC136962 |
Remote Similarity | 0.6985 | NPC472707 |
Remote Similarity | 0.6985 | NPC296712 |
Remote Similarity | 0.6984 | NPC234376 |
Remote Similarity | 0.6975 | NPC271475 |
Remote Similarity | 0.6967 | NPC269644 |
Remote Similarity | 0.6967 | NPC8931 |
Remote Similarity | 0.6967 | NPC261573 |
Remote Similarity | 0.6967 | NPC120693 |
Remote Similarity | 0.6964 | NPC95965 |
Remote Similarity | 0.6963 | NPC136453 |
Remote Similarity | 0.6953 | NPC93181 |
Remote Similarity | 0.695 | NPC316906 |
Remote Similarity | 0.6949 | NPC3371 |
Remote Similarity | 0.6937 | NPC285773 |
Remote Similarity | 0.6937 | NPC44830 |
Remote Similarity | 0.6935 | NPC249811 |
Remote Similarity | 0.693 | NPC329064 |
Remote Similarity | 0.6929 | NPC128368 |
Remote Similarity | 0.6929 | NPC202743 |
Remote Similarity | 0.6929 | NPC265002 |
Remote Similarity | 0.6917 | NPC26285 |
Remote Similarity | 0.6912 | NPC71933 |
Remote Similarity | 0.6912 | NPC239990 |
Remote Similarity | 0.6912 | NPC476353 |
Remote Similarity | 0.6912 | NPC89923 |
Remote Similarity | 0.6912 | NPC105114 |
Remote Similarity | 0.6912 | NPC152850 |
Remote Similarity | 0.6911 | NPC67043 |
Remote Similarity | 0.6911 | NPC13495 |
Remote Similarity | 0.6906 | NPC108553 |
Remote Similarity | 0.6905 | NPC476003 |
Remote Similarity | 0.6891 | NPC289201 |
Remote Similarity | 0.6891 | NPC253423 |
Remote Similarity | 0.6891 | NPC270654 |
Remote Similarity | 0.6889 | NPC57607 |
Remote Similarity | 0.6875 | NPC95429 |
Remote Similarity | 0.6875 | NPC172525 |
Remote Similarity | 0.6875 | NPC153053 |
Remote Similarity | 0.6875 | NPC474363 |
Remote Similarity | 0.6866 | NPC469927 |
Remote Similarity | 0.6864 | NPC206764 |
Remote Similarity | 0.686 | NPC469481 |
Remote Similarity | 0.686 | NPC42211 |
Remote Similarity | 0.686 | NPC225079 |
Remote Similarity | 0.686 | NPC52472 |
Remote Similarity | 0.6857 | NPC173034 |
Remote Similarity | 0.6855 | NPC474376 |
Remote Similarity | 0.6855 | NPC475203 |
Remote Similarity | 0.6855 | NPC472316 |
Remote Similarity | 0.6855 | NPC472315 |
Remote Similarity | 0.6855 | NPC188677 |
Remote Similarity | 0.685 | NPC321852 |
Remote Similarity | 0.6846 | NPC242764 |
Remote Similarity | 0.6846 | NPC105141 |
Remote Similarity | 0.6846 | NPC128249 |
Remote Similarity | 0.6838 | NPC79608 |
Remote Similarity | 0.6835 | NPC275538 |
Remote Similarity | 0.6829 | NPC280616 |
Remote Similarity | 0.6829 | NPC242913 |
Remote Similarity | 0.6829 | NPC171831 |
Remote Similarity | 0.6829 | NPC19136 |
Remote Similarity | 0.6825 | NPC326187 |
Remote Similarity | 0.6822 | NPC221870 |
Remote Similarity | 0.6818 | NPC204784 |
Remote Similarity | 0.6818 | NPC319950 |
Remote Similarity | 0.6815 | NPC236981 |
Remote Similarity | 0.6815 | NPC85511 |
Remote Similarity | 0.6814 | NPC294134 |
Remote Similarity | 0.6812 | NPC325651 |
Remote Similarity | 0.6812 | NPC301857 |
Remote Similarity | 0.681 | NPC62765 |
Remote Similarity | 0.681 | NPC84288 |
Remote Similarity | 0.6806 | NPC251439 |
Remote Similarity | 0.6803 | NPC284477 |
Remote Similarity | 0.6797 | NPC272524 |
Remote Similarity | 0.6791 | NPC167323 |
Remote Similarity | 0.6791 | NPC269923 |
Remote Similarity | 0.6791 | NPC472271 |
Remote Similarity | 0.6788 | NPC305717 |
Remote Similarity | 0.6786 | NPC288903 |
Remote Similarity | 0.6786 | NPC244866 |
Remote Similarity | 0.678 | NPC261181 |
Remote Similarity | 0.678 | NPC34243 |
Remote Similarity | 0.6777 | NPC474308 |
Remote Similarity | 0.6777 | NPC12730 |
Remote Similarity | 0.6777 | NPC245561 |
Remote Similarity | 0.6777 | NPC118343 |
Remote Similarity | 0.6774 | NPC209632 |
Remote Similarity | 0.6772 | NPC319579 |
Remote Similarity | 0.6772 | NPC63345 |
Remote Similarity | 0.6772 | NPC474057 |
Remote Similarity | 0.6772 | NPC21162 |
Remote Similarity | 0.6772 | NPC260818 |
Remote Similarity | 0.6769 | NPC210531 |
Remote Similarity | 0.6769 | NPC51345 |
Remote Similarity | 0.6767 | NPC473243 |
Remote Similarity | 0.6765 | NPC246166 |
Remote Similarity | 0.6765 | NPC85565 |
Molecular Weight   | 327.18 |
ALogP   | -0.0128 |
MLogP   | 3.22 |
XLogP   | 5.54 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 12 |
TPSA   | 49.77 |
RO5 Violation   | 1 |