Drug ID:   | NPD2381 |
Drug Name:   | Mefloquine |
Molecular Formula:   | C17H16F6N2O |
Canonical SMILES:   | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 |
Standard InCHI:   | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2 |
Standard InCHIKey:   | XEEQGYMUWCZPDN-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 |
---|---|---|
High Similarity | 0.858 | NPC150048 |
High Similarity | 0.858 | NPC203754 |
Intermediate Similarity | 0.8246 | NPC34508 |
Intermediate Similarity | 0.8176 | NPC317430 |
Intermediate Similarity | 0.8057 | NPC270009 |
Intermediate Similarity | 0.8 | NPC293472 |
Intermediate Similarity | 0.7966 | NPC192270 |
Intermediate Similarity | 0.7955 | NPC472443 |
Intermediate Similarity | 0.7917 | NPC141353 |
Intermediate Similarity | 0.7895 | NPC102423 |
Intermediate Similarity | 0.7874 | NPC158129 |
Intermediate Similarity | 0.7865 | NPC314394 |
Intermediate Similarity | 0.7829 | NPC472123 |
Intermediate Similarity | 0.7821 | NPC472444 |
Intermediate Similarity | 0.7821 | NPC472109 |
Intermediate Similarity | 0.7821 | NPC472110 |
Intermediate Similarity | 0.7821 | NPC19679 |
Intermediate Similarity | 0.7821 | NPC48938 |
Intermediate Similarity | 0.7784 | NPC189812 |
Intermediate Similarity | 0.7784 | NPC329688 |
Intermediate Similarity | 0.7778 | NPC131718 |
Intermediate Similarity | 0.7766 | NPC249040 |
Intermediate Similarity | 0.7753 | NPC133261 |
Intermediate Similarity | 0.7727 | NPC313791 |
Intermediate Similarity | 0.7722 | NPC139291 |
Intermediate Similarity | 0.7722 | NPC472108 |
Intermediate Similarity | 0.7713 | NPC32200 |
Intermediate Similarity | 0.7697 | NPC326575 |
Intermediate Similarity | 0.7684 | NPC472586 |
Intermediate Similarity | 0.7663 | NPC95783 |
Intermediate Similarity | 0.7654 | NPC232340 |
Intermediate Similarity | 0.7647 | NPC470507 |
Intermediate Similarity | 0.7609 | NPC46413 |
Intermediate Similarity | 0.7602 | NPC469785 |
Intermediate Similarity | 0.7598 | NPC151939 |
Intermediate Similarity | 0.7586 | NPC311276 |
Intermediate Similarity | 0.7586 | NPC476118 |
Intermediate Similarity | 0.7582 | NPC472294 |
Intermediate Similarity | 0.7576 | NPC477110 |
Intermediate Similarity | 0.7565 | NPC477113 |
Intermediate Similarity | 0.7563 | NPC469592 |
Intermediate Similarity | 0.7563 | NPC471080 |
Intermediate Similarity | 0.7558 | NPC469762 |
Intermediate Similarity | 0.7557 | NPC154293 |
Intermediate Similarity | 0.7544 | NPC38736 |
Intermediate Similarity | 0.7542 | NPC134586 |
Intermediate Similarity | 0.7542 | NPC472122 |
Intermediate Similarity | 0.7542 | NPC24594 |
Intermediate Similarity | 0.7529 | NPC16667 |
Intermediate Similarity | 0.7528 | NPC259545 |
Intermediate Similarity | 0.7515 | NPC187951 |
Intermediate Similarity | 0.7515 | NPC37548 |
Intermediate Similarity | 0.7515 | NPC288445 |
Intermediate Similarity | 0.7514 | NPC126481 |
Intermediate Similarity | 0.7514 | NPC230869 |
Intermediate Similarity | 0.7513 | NPC165349 |
Intermediate Similarity | 0.7513 | NPC329708 |
Intermediate Similarity | 0.7513 | NPC47059 |
Intermediate Similarity | 0.7513 | NPC118832 |
Intermediate Similarity | 0.7513 | NPC264166 |
Intermediate Similarity | 0.7513 | NPC274291 |
Intermediate Similarity | 0.75 | NPC211997 |
Intermediate Similarity | 0.75 | NPC285469 |
Intermediate Similarity | 0.75 | NPC54988 |
Intermediate Similarity | 0.7487 | NPC477111 |
Intermediate Similarity | 0.7486 | NPC476446 |
Intermediate Similarity | 0.7486 | NPC469813 |
Intermediate Similarity | 0.7486 | NPC78375 |
Intermediate Similarity | 0.7474 | NPC265576 |
Intermediate Similarity | 0.746 | NPC205403 |
Intermediate Similarity | 0.7458 | NPC63751 |
Intermediate Similarity | 0.7458 | NPC44161 |
Intermediate Similarity | 0.7458 | NPC201700 |
Intermediate Similarity | 0.7446 | NPC476319 |
Intermediate Similarity | 0.7444 | NPC288785 |
Intermediate Similarity | 0.7443 | NPC470508 |
Intermediate Similarity | 0.7442 | NPC207726 |
Intermediate Similarity | 0.7423 | NPC470500 |
Intermediate Similarity | 0.7423 | NPC470505 |
Intermediate Similarity | 0.7418 | NPC472105 |
Intermediate Similarity | 0.7418 | NPC300688 |
Intermediate Similarity | 0.7418 | NPC478032 |
Intermediate Similarity | 0.7418 | NPC187827 |
Intermediate Similarity | 0.7413 | NPC469594 |
Intermediate Similarity | 0.7411 | NPC5145 |
Intermediate Similarity | 0.7401 | NPC49954 |
Intermediate Similarity | 0.7401 | NPC474561 |
Intermediate Similarity | 0.7398 | NPC475910 |
Intermediate Similarity | 0.7386 | NPC40779 |
Intermediate Similarity | 0.7386 | NPC194640 |
Intermediate Similarity | 0.7384 | NPC259644 |
Intermediate Similarity | 0.7384 | NPC73952 |
Intermediate Similarity | 0.7384 | NPC469760 |
Intermediate Similarity | 0.7384 | NPC469765 |
Intermediate Similarity | 0.7384 | NPC25008 |
Intermediate Similarity | 0.7384 | NPC469763 |
Intermediate Similarity | 0.7384 | NPC469786 |
Intermediate Similarity | 0.7371 | NPC81229 |
Intermediate Similarity | 0.7371 | NPC255229 |
Intermediate Similarity | 0.7371 | NPC279918 |
Intermediate Similarity | 0.7365 | NPC60553 |
Intermediate Similarity | 0.736 | NPC469589 |
Intermediate Similarity | 0.7354 | NPC474177 |
Intermediate Similarity | 0.7349 | NPC88097 |
Intermediate Similarity | 0.7341 | NPC80597 |
Intermediate Similarity | 0.7341 | NPC211572 |
Intermediate Similarity | 0.7341 | NPC70922 |
Intermediate Similarity | 0.7341 | NPC75540 |
Intermediate Similarity | 0.7341 | NPC212376 |
Intermediate Similarity | 0.7337 | NPC220765 |
Intermediate Similarity | 0.733 | NPC47298 |
Intermediate Similarity | 0.733 | NPC315214 |
Intermediate Similarity | 0.733 | NPC282231 |
Intermediate Similarity | 0.7322 | NPC198339 |
Intermediate Similarity | 0.7322 | NPC15840 |
Intermediate Similarity | 0.7318 | NPC280548 |
Intermediate Similarity | 0.7316 | NPC133366 |
Intermediate Similarity | 0.7314 | NPC84508 |
Intermediate Similarity | 0.7314 | NPC67056 |
Intermediate Similarity | 0.7312 | NPC171171 |
Intermediate Similarity | 0.731 | NPC124005 |
Intermediate Similarity | 0.7306 | NPC329793 |
Intermediate Similarity | 0.7303 | NPC160105 |
Intermediate Similarity | 0.7302 | NPC324149 |
Intermediate Similarity | 0.7302 | NPC99666 |
Intermediate Similarity | 0.7297 | NPC284678 |
Intermediate Similarity | 0.7297 | NPC204717 |
Intermediate Similarity | 0.7292 | NPC50503 |
Intermediate Similarity | 0.7288 | NPC32028 |
Intermediate Similarity | 0.7288 | NPC159319 |
Intermediate Similarity | 0.7287 | NPC469470 |
Intermediate Similarity | 0.7287 | NPC469501 |
Intermediate Similarity | 0.7283 | NPC233936 |
Intermediate Similarity | 0.7278 | NPC242556 |
Intermediate Similarity | 0.7273 | NPC317030 |
Intermediate Similarity | 0.7273 | NPC476116 |
Intermediate Similarity | 0.7273 | NPC473320 |
Intermediate Similarity | 0.7268 | NPC215795 |
Intermediate Similarity | 0.7268 | NPC88363 |
Intermediate Similarity | 0.7268 | NPC176199 |
Intermediate Similarity | 0.7268 | NPC72980 |
Intermediate Similarity | 0.7267 | NPC24678 |
Intermediate Similarity | 0.7267 | NPC105818 |
Intermediate Similarity | 0.7258 | NPC15102 |
Intermediate Similarity | 0.7258 | NPC314002 |
Intermediate Similarity | 0.7251 | NPC21605 |
Intermediate Similarity | 0.7241 | NPC471458 |
Intermediate Similarity | 0.724 | NPC232130 |
Intermediate Similarity | 0.7238 | NPC97525 |
Intermediate Similarity | 0.7235 | NPC159856 |
Intermediate Similarity | 0.7234 | NPC175474 |
Intermediate Similarity | 0.7232 | NPC471177 |
Intermediate Similarity | 0.7232 | NPC124542 |
Intermediate Similarity | 0.7232 | NPC59779 |
Intermediate Similarity | 0.7231 | NPC328596 |
Intermediate Similarity | 0.7231 | NPC328318 |
Intermediate Similarity | 0.7222 | NPC473764 |
Intermediate Similarity | 0.7222 | NPC314940 |
Intermediate Similarity | 0.7219 | NPC474707 |
Intermediate Similarity | 0.7216 | NPC313985 |
Intermediate Similarity | 0.7216 | NPC195461 |
Intermediate Similarity | 0.7216 | NPC81654 |
Intermediate Similarity | 0.7216 | NPC49196 |
Intermediate Similarity | 0.7216 | NPC249150 |
Intermediate Similarity | 0.7216 | NPC79129 |
Intermediate Similarity | 0.7213 | NPC217372 |
Intermediate Similarity | 0.7213 | NPC15573 |
Intermediate Similarity | 0.7213 | NPC59269 |
Intermediate Similarity | 0.7213 | NPC183662 |
Intermediate Similarity | 0.7213 | NPC68354 |
Intermediate Similarity | 0.7208 | NPC475288 |
Intermediate Similarity | 0.7208 | NPC472111 |
Intermediate Similarity | 0.7204 | NPC190007 |
Intermediate Similarity | 0.7198 | NPC275305 |
Intermediate Similarity | 0.7198 | NPC37423 |
Intermediate Similarity | 0.7194 | NPC476098 |
Intermediate Similarity | 0.7182 | NPC470498 |
Intermediate Similarity | 0.7182 | NPC6982 |
Intermediate Similarity | 0.7181 | NPC204565 |
Intermediate Similarity | 0.7181 | NPC46580 |
Intermediate Similarity | 0.7174 | NPC219336 |
Intermediate Similarity | 0.7169 | NPC325252 |
Intermediate Similarity | 0.7166 | NPC62510 |
Intermediate Similarity | 0.7166 | NPC94943 |
Intermediate Similarity | 0.7157 | NPC475070 |
Intermediate Similarity | 0.7151 | NPC163055 |
Intermediate Similarity | 0.715 | NPC475422 |
Intermediate Similarity | 0.7143 | NPC183407 |
Intermediate Similarity | 0.7143 | NPC474409 |
Intermediate Similarity | 0.7143 | NPC471294 |
Intermediate Similarity | 0.7143 | NPC314603 |
Intermediate Similarity | 0.7143 | NPC246700 |
Intermediate Similarity | 0.7143 | NPC65215 |
Intermediate Similarity | 0.7143 | NPC128751 |
Intermediate Similarity | 0.7143 | NPC173028 |
Intermediate Similarity | 0.7136 | NPC314957 |
Intermediate Similarity | 0.7136 | NPC87755 |
Intermediate Similarity | 0.7135 | NPC314372 |
Intermediate Similarity | 0.7135 | NPC195314 |
Intermediate Similarity | 0.7134 | NPC256893 |
Molecular Weight   | 378.12 |
ALogP   | 0.3623 |
MLogP   | 2.34 |
XLogP   | 5.173 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 45.15 |
RO5 Violation   | 1 |