Drug ID:   | NPD4804 |
Drug Name:   | Lapyrium Chloride |
Molecular Formula:   | C21H34N2O3.ClH |
Canonical SMILES:   | CCCCCCCCCCCC(=O)OCCN=C(C[n+]1ccccc1)[O-].Cl |
Standard InCHI:   | InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H |
Standard InCHIKey:   | HPKFFZSXDWPVLX-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 | 0.7929 | NPC471313 |
Intermediate Similarity | 0.7929 | NPC471311 |
Intermediate Similarity | 0.7898 | NPC477975 |
Intermediate Similarity | 0.7655 | NPC322488 |
Intermediate Similarity | 0.7619 | NPC328029 |
Intermediate Similarity | 0.7582 | NPC477974 |
Intermediate Similarity | 0.7568 | NPC65408 |
Intermediate Similarity | 0.7546 | NPC477976 |
Intermediate Similarity | 0.75 | NPC471323 |
Intermediate Similarity | 0.7464 | NPC297486 |
Intermediate Similarity | 0.7464 | NPC471402 |
Intermediate Similarity | 0.7464 | NPC240136 |
Intermediate Similarity | 0.745 | NPC471312 |
Intermediate Similarity | 0.7407 | NPC41717 |
Intermediate Similarity | 0.7394 | NPC290094 |
Intermediate Similarity | 0.7394 | NPC469938 |
Intermediate Similarity | 0.7379 | NPC89490 |
Intermediate Similarity | 0.7343 | NPC476322 |
Intermediate Similarity | 0.7342 | NPC263455 |
Intermediate Similarity | 0.7329 | NPC329896 |
Intermediate Similarity | 0.7329 | NPC475090 |
Intermediate Similarity | 0.7329 | NPC475105 |
Intermediate Similarity | 0.729 | NPC302159 |
Intermediate Similarity | 0.7278 | NPC107287 |
Intermediate Similarity | 0.7267 | NPC29702 |
Intermediate Similarity | 0.726 | NPC313823 |
Intermediate Similarity | 0.7241 | NPC202957 |
Intermediate Similarity | 0.7241 | NPC169625 |
Intermediate Similarity | 0.723 | NPC324611 |
Intermediate Similarity | 0.7222 | NPC71079 |
Intermediate Similarity | 0.7202 | NPC84827 |
Intermediate Similarity | 0.7202 | NPC14113 |
Intermediate Similarity | 0.7202 | NPC145885 |
Intermediate Similarity | 0.7178 | NPC474217 |
Intermediate Similarity | 0.7176 | NPC83987 |
Intermediate Similarity | 0.7168 | NPC328798 |
Intermediate Similarity | 0.7161 | NPC159630 |
Intermediate Similarity | 0.7161 | NPC230085 |
Intermediate Similarity | 0.7151 | NPC160127 |
Intermediate Similarity | 0.7151 | NPC50997 |
Intermediate Similarity | 0.7135 | NPC143533 |
Intermediate Similarity | 0.7135 | NPC325093 |
Intermediate Similarity | 0.7134 | NPC85918 |
Intermediate Similarity | 0.7133 | NPC48564 |
Intermediate Similarity | 0.7133 | NPC182570 |
Intermediate Similarity | 0.7133 | NPC265605 |
Intermediate Similarity | 0.7119 | NPC135950 |
Intermediate Similarity | 0.7114 | NPC471322 |
Intermediate Similarity | 0.7111 | NPC231655 |
Intermediate Similarity | 0.7105 | NPC472288 |
Intermediate Similarity | 0.7095 | NPC476131 |
Intermediate Similarity | 0.7091 | NPC127730 |
Intermediate Similarity | 0.7091 | NPC278366 |
Intermediate Similarity | 0.7083 | NPC329825 |
Intermediate Similarity | 0.708 | NPC27802 |
Intermediate Similarity | 0.7063 | NPC312860 |
Intermediate Similarity | 0.7059 | NPC248462 |
Intermediate Similarity | 0.7056 | NPC123395 |
Intermediate Similarity | 0.7052 | NPC318020 |
Intermediate Similarity | 0.7047 | NPC69914 |
Intermediate Similarity | 0.7029 | NPC182814 |
Intermediate Similarity | 0.7027 | NPC471589 |
Intermediate Similarity | 0.7025 | NPC112741 |
Remote Similarity | 0.6994 | NPC472119 |
Remote Similarity | 0.6994 | NPC207851 |
Remote Similarity | 0.6985 | NPC76540 |
Remote Similarity | 0.6971 | NPC325775 |
Remote Similarity | 0.697 | NPC78375 |
Remote Similarity | 0.697 | NPC476446 |
Remote Similarity | 0.697 | NPC469813 |
Remote Similarity | 0.6961 | NPC103361 |
Remote Similarity | 0.6959 | NPC126709 |
Remote Similarity | 0.6959 | NPC248041 |
Remote Similarity | 0.6949 | NPC127647 |
Remote Similarity | 0.6949 | NPC117244 |
Remote Similarity | 0.6949 | NPC473763 |
Remote Similarity | 0.6941 | NPC267885 |
Remote Similarity | 0.6936 | NPC322043 |
Remote Similarity | 0.6936 | NPC327373 |
Remote Similarity | 0.6927 | NPC20593 |
Remote Similarity | 0.6923 | NPC91958 |
Remote Similarity | 0.6914 | NPC235684 |
Remote Similarity | 0.6901 | NPC64436 |
Remote Similarity | 0.6897 | NPC46895 |
Remote Similarity | 0.6894 | NPC284348 |
Remote Similarity | 0.6887 | NPC256893 |
Remote Similarity | 0.6883 | NPC114310 |
Remote Similarity | 0.6882 | NPC110500 |
Remote Similarity | 0.6882 | NPC149155 |
Remote Similarity | 0.6882 | NPC203468 |
Remote Similarity | 0.6872 | NPC103230 |
Remote Similarity | 0.6867 | NPC71236 |
Remote Similarity | 0.6864 | NPC249614 |
Remote Similarity | 0.686 | NPC283219 |
Remote Similarity | 0.686 | NPC213468 |
Remote Similarity | 0.6848 | NPC476874 |
Remote Similarity | 0.6846 | NPC212125 |
Remote Similarity | 0.6845 | NPC78020 |
Remote Similarity | 0.6831 | NPC470279 |
Remote Similarity | 0.6829 | NPC116573 |
Remote Similarity | 0.6829 | NPC129721 |
Remote Similarity | 0.6821 | NPC317010 |
Remote Similarity | 0.6821 | NPC61011 |
Remote Similarity | 0.6821 | NPC471997 |
Remote Similarity | 0.6821 | NPC469896 |
Remote Similarity | 0.6821 | NPC315320 |
Remote Similarity | 0.6813 | NPC149708 |
Remote Similarity | 0.6813 | NPC257142 |
Remote Similarity | 0.6809 | NPC478158 |
Remote Similarity | 0.6806 | NPC143603 |
Remote Similarity | 0.6802 | NPC234987 |
Remote Similarity | 0.6795 | NPC85443 |
Remote Similarity | 0.6792 | NPC167400 |
Remote Similarity | 0.6782 | NPC71037 |
Remote Similarity | 0.6766 | NPC311276 |
Remote Similarity | 0.676 | NPC472097 |
Remote Similarity | 0.6757 | NPC27740 |
Remote Similarity | 0.6738 | NPC235843 |
Remote Similarity | 0.6738 | NPC238457 |
Remote Similarity | 0.6733 | NPC165370 |
Remote Similarity | 0.6727 | NPC138018 |
Remote Similarity | 0.6727 | NPC469762 |
Remote Similarity | 0.6711 | NPC166424 |
Remote Similarity | 0.6711 | NPC146373 |
Remote Similarity | 0.6711 | NPC245244 |
Remote Similarity | 0.6707 | NPC209362 |
Remote Similarity | 0.6706 | NPC116961 |
Remote Similarity | 0.6705 | NPC83774 |
Remote Similarity | 0.6704 | NPC469489 |
Remote Similarity | 0.6703 | NPC472116 |
Remote Similarity | 0.6703 | NPC109922 |
Remote Similarity | 0.6702 | NPC318299 |
Remote Similarity | 0.6701 | NPC281049 |
Remote Similarity | 0.669 | NPC473901 |
Remote Similarity | 0.6687 | NPC70406 |
Remote Similarity | 0.6686 | NPC114637 |
Remote Similarity | 0.6685 | NPC472323 |
Remote Similarity | 0.6667 | NPC251722 |
Remote Similarity | 0.6667 | NPC317752 |
Remote Similarity | 0.6667 | NPC54744 |
Remote Similarity | 0.6667 | NPC313804 |
Remote Similarity | 0.6667 | NPC141377 |
Remote Similarity | 0.6667 | NPC315804 |
Remote Similarity | 0.6667 | NPC79062 |
Remote Similarity | 0.6667 | NPC282103 |
Remote Similarity | 0.6667 | NPC472107 |
Remote Similarity | 0.6667 | NPC469785 |
Remote Similarity | 0.6667 | NPC314102 |
Remote Similarity | 0.6648 | NPC57994 |
Remote Similarity | 0.6648 | NPC289299 |
Remote Similarity | 0.6648 | NPC321708 |
Remote Similarity | 0.6646 | NPC469760 |
Remote Similarity | 0.6646 | NPC469786 |
Remote Similarity | 0.6646 | NPC469763 |
Remote Similarity | 0.6646 | NPC73952 |
Remote Similarity | 0.6646 | NPC25008 |
Remote Similarity | 0.6646 | NPC469765 |
Remote Similarity | 0.6646 | NPC259644 |
Remote Similarity | 0.6632 | NPC478157 |
Remote Similarity | 0.6629 | NPC15840 |
Remote Similarity | 0.6629 | NPC62749 |
Remote Similarity | 0.6629 | NPC66210 |
Remote Similarity | 0.6629 | NPC94752 |
Remote Similarity | 0.6629 | NPC73994 |
Remote Similarity | 0.6627 | NPC213914 |
Remote Similarity | 0.6623 | NPC330326 |
Remote Similarity | 0.6623 | NPC306397 |
Remote Similarity | 0.6615 | NPC314270 |
Remote Similarity | 0.6614 | NPC475835 |
Remote Similarity | 0.6614 | NPC316403 |
Remote Similarity | 0.6612 | NPC245916 |
Remote Similarity | 0.661 | NPC228835 |
Remote Similarity | 0.661 | NPC258480 |
Remote Similarity | 0.6609 | NPC111275 |
Remote Similarity | 0.6607 | NPC242116 |
Remote Similarity | 0.6606 | NPC75540 |
Remote Similarity | 0.6606 | NPC70922 |
Remote Similarity | 0.6606 | NPC75135 |
Remote Similarity | 0.6606 | NPC211572 |
Remote Similarity | 0.6606 | NPC212376 |
Remote Similarity | 0.6606 | NPC80597 |
Remote Similarity | 0.6605 | NPC105811 |
Remote Similarity | 0.66 | NPC151489 |
Remote Similarity | 0.6597 | NPC123839 |
Remote Similarity | 0.6597 | NPC84268 |
Remote Similarity | 0.6596 | NPC289086 |
Remote Similarity | 0.6595 | NPC313421 |
Remote Similarity | 0.6591 | NPC113626 |
Remote Similarity | 0.6588 | NPC56233 |
Remote Similarity | 0.6587 | NPC80681 |
Remote Similarity | 0.6585 | NPC470679 |
Remote Similarity | 0.6585 | NPC217021 |
Remote Similarity | 0.6585 | NPC472260 |
Remote Similarity | 0.6584 | NPC467188 |
Remote Similarity | 0.6582 | NPC315348 |
Remote Similarity | 0.6582 | NPC32002 |
Remote Similarity | 0.6582 | NPC316811 |
Remote Similarity | 0.6579 | NPC470190 |
Remote Similarity | 0.6578 | NPC57398 |
Remote Similarity | 0.6577 | NPC46358 |
Molecular Weight   | 362.26 |
ALogP   | -5.2031 |
MLogP   | 3.22 |
XLogP   | 6.522 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 18 |
TPSA   | 65.6 |
RO5 Violation   | 2 |