Drug ID:   | NPD4188 |
Drug Name:   | (2-Benzhydryloxyethyl)Diethyl-Methylammonium Iodide |
Molecular Formula:   | C20H28NO.HI |
Canonical SMILES:   | CC[N+](CCOC(c1ccccc1)c1ccccc1)(CC)C.[I-] |
Standard InCHI:   | InChI=1S/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1 |
Standard InCHIKey:   | HKOZYKMXXBHEHT-UHFFFAOYSA-M |
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 | 0.9894 | NPC316797 |
Intermediate Similarity | 0.8224 | NPC24777 |
Intermediate Similarity | 0.7979 | NPC165212 |
Intermediate Similarity | 0.7949 | NPC255253 |
Intermediate Similarity | 0.789 | NPC292758 |
Intermediate Similarity | 0.789 | NPC65855 |
Intermediate Similarity | 0.781 | NPC228400 |
Intermediate Similarity | 0.781 | NPC214200 |
Intermediate Similarity | 0.7748 | NPC269340 |
Intermediate Similarity | 0.76 | NPC304760 |
Intermediate Similarity | 0.7551 | NPC95429 |
Intermediate Similarity | 0.7542 | NPC316896 |
Intermediate Similarity | 0.7453 | NPC475954 |
Intermediate Similarity | 0.7407 | NPC327226 |
Intermediate Similarity | 0.7379 | NPC119631 |
Intermediate Similarity | 0.7374 | NPC304538 |
Intermediate Similarity | 0.7347 | NPC106313 |
Intermediate Similarity | 0.73 | NPC475710 |
Intermediate Similarity | 0.73 | NPC58616 |
Intermediate Similarity | 0.7297 | NPC135464 |
Intermediate Similarity | 0.7297 | NPC92623 |
Intermediate Similarity | 0.729 | NPC313918 |
Intermediate Similarity | 0.7282 | NPC240108 |
Intermediate Similarity | 0.7282 | NPC213156 |
Intermediate Similarity | 0.7273 | NPC150254 |
Intermediate Similarity | 0.7273 | NPC304761 |
Intermediate Similarity | 0.7273 | NPC147000 |
Intermediate Similarity | 0.7273 | NPC226778 |
Intermediate Similarity | 0.7213 | NPC211218 |
Intermediate Similarity | 0.7213 | NPC328267 |
Intermediate Similarity | 0.7213 | NPC307020 |
Intermediate Similarity | 0.7207 | NPC211551 |
Intermediate Similarity | 0.7207 | NPC154899 |
Intermediate Similarity | 0.7207 | NPC233396 |
Intermediate Similarity | 0.7184 | NPC220893 |
Intermediate Similarity | 0.7172 | NPC475199 |
Intermediate Similarity | 0.7172 | NPC99394 |
Intermediate Similarity | 0.7172 | NPC87299 |
Intermediate Similarity | 0.7172 | NPC103326 |
Intermediate Similarity | 0.7172 | NPC329319 |
Intermediate Similarity | 0.7172 | NPC283012 |
Intermediate Similarity | 0.717 | NPC215351 |
Intermediate Similarity | 0.717 | NPC20142 |
Intermediate Similarity | 0.7167 | NPC321133 |
Intermediate Similarity | 0.7157 | NPC89377 |
Intermediate Similarity | 0.7143 | NPC164449 |
Intermediate Similarity | 0.7143 | NPC184030 |
Intermediate Similarity | 0.7143 | NPC326801 |
Intermediate Similarity | 0.713 | NPC290515 |
Intermediate Similarity | 0.713 | NPC226096 |
Intermediate Similarity | 0.713 | NPC108606 |
Intermediate Similarity | 0.713 | NPC303611 |
Intermediate Similarity | 0.713 | NPC164514 |
Intermediate Similarity | 0.7129 | NPC99482 |
Intermediate Similarity | 0.7105 | NPC474272 |
Intermediate Similarity | 0.7105 | NPC265211 |
Intermediate Similarity | 0.7105 | NPC306045 |
Intermediate Similarity | 0.7091 | NPC60373 |
Intermediate Similarity | 0.7091 | NPC154905 |
Intermediate Similarity | 0.7075 | NPC23453 |
Intermediate Similarity | 0.7071 | NPC117180 |
Intermediate Similarity | 0.7064 | NPC98911 |
Intermediate Similarity | 0.7064 | NPC472318 |
Intermediate Similarity | 0.7049 | NPC26285 |
Intermediate Similarity | 0.7043 | NPC95977 |
Intermediate Similarity | 0.7037 | NPC325499 |
Intermediate Similarity | 0.7037 | NPC33168 |
Intermediate Similarity | 0.7027 | NPC234305 |
Intermediate Similarity | 0.7025 | NPC263835 |
Intermediate Similarity | 0.7025 | NPC476183 |
Intermediate Similarity | 0.7019 | NPC173443 |
Intermediate Similarity | 0.7016 | NPC62101 |
Intermediate Similarity | 0.7016 | NPC95733 |
Intermediate Similarity | 0.7009 | NPC123175 |
Intermediate Similarity | 0.7009 | NPC176730 |
Intermediate Similarity | 0.7009 | NPC58674 |
Intermediate Similarity | 0.7009 | NPC5472 |
Intermediate Similarity | 0.7 | NPC245927 |
Intermediate Similarity | 0.7 | NPC73637 |
Intermediate Similarity | 0.7 | NPC121478 |
Remote Similarity | 0.6991 | NPC474376 |
Remote Similarity | 0.6991 | NPC113457 |
Remote Similarity | 0.6991 | NPC472315 |
Remote Similarity | 0.6991 | NPC472316 |
Remote Similarity | 0.6991 | NPC475203 |
Remote Similarity | 0.699 | NPC211237 |
Remote Similarity | 0.6981 | NPC265521 |
Remote Similarity | 0.6972 | NPC470161 |
Remote Similarity | 0.697 | NPC328178 |
Remote Similarity | 0.6967 | NPC476184 |
Remote Similarity | 0.6967 | NPC476281 |
Remote Similarity | 0.6964 | NPC85977 |
Remote Similarity | 0.696 | NPC29477 |
Remote Similarity | 0.696 | NPC136112 |
Remote Similarity | 0.696 | NPC141739 |
Remote Similarity | 0.696 | NPC320242 |
Remote Similarity | 0.6957 | NPC273837 |
Remote Similarity | 0.6952 | NPC172128 |
Remote Similarity | 0.6942 | NPC43275 |
Remote Similarity | 0.6942 | NPC256369 |
Remote Similarity | 0.6937 | NPC300166 |
Remote Similarity | 0.6935 | NPC285394 |
Remote Similarity | 0.6923 | NPC42911 |
Remote Similarity | 0.6923 | NPC128368 |
Remote Similarity | 0.6923 | NPC290353 |
Remote Similarity | 0.6923 | NPC265002 |
Remote Similarity | 0.6923 | NPC153795 |
Remote Similarity | 0.6917 | NPC212850 |
Remote Similarity | 0.6917 | NPC189724 |
Remote Similarity | 0.6917 | NPC83289 |
Remote Similarity | 0.6909 | NPC132078 |
Remote Similarity | 0.6909 | NPC78119 |
Remote Similarity | 0.6909 | NPC216468 |
Remote Similarity | 0.6909 | NPC51333 |
Remote Similarity | 0.69 | NPC133050 |
Remote Similarity | 0.6894 | NPC231163 |
Remote Similarity | 0.6894 | NPC318591 |
Remote Similarity | 0.6891 | NPC303370 |
Remote Similarity | 0.687 | NPC469636 |
Remote Similarity | 0.6864 | NPC474544 |
Remote Similarity | 0.6864 | NPC26524 |
Remote Similarity | 0.6864 | NPC1986 |
Remote Similarity | 0.6857 | NPC1793 |
Remote Similarity | 0.6857 | NPC231591 |
Remote Similarity | 0.6857 | NPC199567 |
Remote Similarity | 0.6855 | NPC471315 |
Remote Similarity | 0.6855 | NPC471314 |
Remote Similarity | 0.6855 | NPC476278 |
Remote Similarity | 0.6847 | NPC213730 |
Remote Similarity | 0.6847 | NPC42211 |
Remote Similarity | 0.6847 | NPC294741 |
Remote Similarity | 0.6842 | NPC136962 |
Remote Similarity | 0.6838 | NPC166837 |
Remote Similarity | 0.6838 | NPC234376 |
Remote Similarity | 0.6827 | NPC198747 |
Remote Similarity | 0.6822 | NPC321956 |
Remote Similarity | 0.681 | NPC158854 |
Remote Similarity | 0.68 | NPC476260 |
Remote Similarity | 0.68 | NPC476241 |
Remote Similarity | 0.6796 | NPC474354 |
Remote Similarity | 0.6789 | NPC26244 |
Remote Similarity | 0.6789 | NPC21959 |
Remote Similarity | 0.6786 | NPC40258 |
Remote Similarity | 0.6786 | NPC91461 |
Remote Similarity | 0.6786 | NPC7686 |
Remote Similarity | 0.6783 | NPC186469 |
Remote Similarity | 0.6777 | NPC476266 |
Remote Similarity | 0.6772 | NPC218323 |
Remote Similarity | 0.6769 | NPC118419 |
Remote Similarity | 0.6765 | NPC172984 |
Remote Similarity | 0.6757 | NPC471576 |
Remote Similarity | 0.6757 | NPC118343 |
Remote Similarity | 0.6754 | NPC269457 |
Remote Similarity | 0.6754 | NPC42383 |
Remote Similarity | 0.6754 | NPC470393 |
Remote Similarity | 0.6752 | NPC2682 |
Remote Similarity | 0.6752 | NPC63345 |
Remote Similarity | 0.6752 | NPC475852 |
Remote Similarity | 0.675 | NPC473507 |
Remote Similarity | 0.6746 | NPC476179 |
Remote Similarity | 0.6746 | NPC476125 |
Remote Similarity | 0.6731 | NPC474211 |
Remote Similarity | 0.6731 | NPC93843 |
Remote Similarity | 0.6729 | NPC71853 |
Remote Similarity | 0.6727 | NPC473388 |
Remote Similarity | 0.6727 | NPC270654 |
Remote Similarity | 0.6726 | NPC474365 |
Remote Similarity | 0.6726 | NPC301943 |
Remote Similarity | 0.6724 | NPC75440 |
Remote Similarity | 0.6724 | NPC201959 |
Remote Similarity | 0.6724 | NPC97811 |
Remote Similarity | 0.6723 | NPC120217 |
Remote Similarity | 0.6719 | NPC172403 |
Remote Similarity | 0.6715 | NPC247298 |
Remote Similarity | 0.67 | NPC170484 |
Remote Similarity | 0.6699 | NPC168855 |
Remote Similarity | 0.6698 | NPC9822 |
Remote Similarity | 0.6697 | NPC76938 |
Remote Similarity | 0.6697 | NPC471581 |
Remote Similarity | 0.6697 | NPC151715 |
Remote Similarity | 0.6696 | NPC289381 |
Remote Similarity | 0.6696 | NPC155847 |
Remote Similarity | 0.6694 | NPC301651 |
Remote Similarity | 0.6694 | NPC473556 |
Remote Similarity | 0.6693 | NPC65310 |
Remote Similarity | 0.6692 | NPC281104 |
Remote Similarity | 0.6667 | NPC90194 |
Remote Similarity | 0.6667 | NPC242913 |
Remote Similarity | 0.6667 | NPC9687 |
Remote Similarity | 0.6667 | NPC118099 |
Remote Similarity | 0.6667 | NPC475598 |
Remote Similarity | 0.6667 | NPC273907 |
Remote Similarity | 0.6667 | NPC14950 |
Remote Similarity | 0.6667 | NPC76785 |
Remote Similarity | 0.6667 | NPC476102 |
Remote Similarity | 0.6667 | NPC151706 |
Remote Similarity | 0.6667 | NPC96625 |
Remote Similarity | 0.6667 | NPC49577 |
Remote Similarity | 0.6667 | NPC128645 |
Remote Similarity | 0.6667 | NPC59561 |
Molecular Weight   | 298.22 |
ALogP   | -0.8175 |
MLogP   | 3.44 |
XLogP   | 6.381 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 11 |
TPSA   | 9.23 |
RO5 Violation   | 1 |