Drug ID:   | NPD2176 |
Drug Name:   | Procaterol |
Molecular Formula:   | C16H22N2O3 |
Canonical SMILES:   | CCC(C(c1ccc(c2c1ccc(n2)O)O)O)NC(C)C |
Standard InCHI:   | InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20) |
Standard InCHIKey:   | FKNXQNWAXFXVNW-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; IUPHAR/BPS |
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 | 0.8162 | NPC478032 |
Intermediate Similarity | 0.8079 | NPC477110 |
Intermediate Similarity | 0.8033 | NPC252590 |
Intermediate Similarity | 0.801 | NPC249040 |
Intermediate Similarity | 0.8 | NPC477111 |
Intermediate Similarity | 0.8 | NPC18348 |
Intermediate Similarity | 0.7978 | NPC473764 |
Intermediate Similarity | 0.7978 | NPC314940 |
Intermediate Similarity | 0.7959 | NPC476167 |
Intermediate Similarity | 0.7951 | NPC314552 |
Intermediate Similarity | 0.7923 | NPC44161 |
Intermediate Similarity | 0.7908 | NPC192315 |
Intermediate Similarity | 0.79 | NPC477113 |
Intermediate Similarity | 0.7864 | NPC293151 |
Intermediate Similarity | 0.7853 | NPC314573 |
Intermediate Similarity | 0.785 | NPC470500 |
Intermediate Similarity | 0.7835 | NPC99666 |
Intermediate Similarity | 0.7833 | NPC5145 |
Intermediate Similarity | 0.7801 | NPC42591 |
Intermediate Similarity | 0.7796 | NPC259545 |
Intermediate Similarity | 0.7784 | NPC126481 |
Intermediate Similarity | 0.7772 | NPC246700 |
Intermediate Similarity | 0.7772 | NPC128751 |
Intermediate Similarity | 0.7766 | NPC153042 |
Intermediate Similarity | 0.774 | NPC469594 |
Intermediate Similarity | 0.7732 | NPC469497 |
Intermediate Similarity | 0.7732 | NPC106833 |
Intermediate Similarity | 0.7727 | NPC470395 |
Intermediate Similarity | 0.7725 | NPC72980 |
Intermediate Similarity | 0.7725 | NPC232340 |
Intermediate Similarity | 0.7718 | NPC471080 |
Intermediate Similarity | 0.7718 | NPC469592 |
Intermediate Similarity | 0.7711 | NPC476098 |
Intermediate Similarity | 0.7709 | NPC153769 |
Intermediate Similarity | 0.7708 | NPC314002 |
Intermediate Similarity | 0.7688 | NPC128823 |
Intermediate Similarity | 0.7673 | NPC274291 |
Intermediate Similarity | 0.7673 | NPC264166 |
Intermediate Similarity | 0.7673 | NPC47059 |
Intermediate Similarity | 0.7673 | NPC118832 |
Intermediate Similarity | 0.7673 | NPC165349 |
Intermediate Similarity | 0.7673 | NPC329708 |
Intermediate Similarity | 0.7668 | NPC171171 |
Intermediate Similarity | 0.7656 | NPC204717 |
Intermediate Similarity | 0.7644 | NPC8022 |
Intermediate Similarity | 0.7644 | NPC470799 |
Intermediate Similarity | 0.7629 | NPC46580 |
Intermediate Similarity | 0.7614 | NPC470394 |
Intermediate Similarity | 0.7614 | NPC470404 |
Intermediate Similarity | 0.7614 | NPC470403 |
Intermediate Similarity | 0.7609 | NPC315214 |
Intermediate Similarity | 0.7609 | NPC47298 |
Intermediate Similarity | 0.7604 | NPC220765 |
Intermediate Similarity | 0.7584 | NPC161292 |
Intermediate Similarity | 0.7583 | NPC132642 |
Intermediate Similarity | 0.7574 | NPC66815 |
Intermediate Similarity | 0.7573 | NPC199667 |
Intermediate Similarity | 0.7568 | NPC159319 |
Intermediate Similarity | 0.7568 | NPC118511 |
Intermediate Similarity | 0.7568 | NPC32028 |
Intermediate Similarity | 0.7559 | NPC51388 |
Intermediate Similarity | 0.7557 | NPC60553 |
Intermediate Similarity | 0.7553 | NPC158129 |
Intermediate Similarity | 0.7539 | NPC88363 |
Intermediate Similarity | 0.7538 | NPC205403 |
Intermediate Similarity | 0.7537 | NPC223427 |
Intermediate Similarity | 0.7524 | NPC473181 |
Intermediate Similarity | 0.7524 | NPC469589 |
Intermediate Similarity | 0.7513 | NPC19679 |
Intermediate Similarity | 0.7512 | NPC474701 |
Intermediate Similarity | 0.7512 | NPC193777 |
Intermediate Similarity | 0.7512 | NPC280272 |
Intermediate Similarity | 0.75 | NPC475070 |
Intermediate Similarity | 0.75 | NPC26679 |
Intermediate Similarity | 0.7488 | NPC200888 |
Intermediate Similarity | 0.7488 | NPC470678 |
Intermediate Similarity | 0.7488 | NPC173080 |
Intermediate Similarity | 0.7476 | NPC475910 |
Intermediate Similarity | 0.7474 | NPC62069 |
Intermediate Similarity | 0.7464 | NPC162530 |
Intermediate Similarity | 0.7463 | NPC474145 |
Intermediate Similarity | 0.7463 | NPC475841 |
Intermediate Similarity | 0.7463 | NPC472111 |
Intermediate Similarity | 0.7462 | NPC3715 |
Intermediate Similarity | 0.7461 | NPC314394 |
Intermediate Similarity | 0.7454 | NPC470126 |
Intermediate Similarity | 0.7454 | NPC473185 |
Intermediate Similarity | 0.745 | NPC251090 |
Intermediate Similarity | 0.744 | NPC476116 |
Intermediate Similarity | 0.7436 | NPC94943 |
Intermediate Similarity | 0.7435 | NPC203754 |
Intermediate Similarity | 0.7435 | NPC150048 |
Intermediate Similarity | 0.7427 | NPC283117 |
Intermediate Similarity | 0.7421 | NPC471294 |
Intermediate Similarity | 0.7421 | NPC34508 |
Intermediate Similarity | 0.7419 | NPC253580 |
Intermediate Similarity | 0.7413 | NPC77555 |
Intermediate Similarity | 0.7411 | NPC242928 |
Intermediate Similarity | 0.74 | NPC276517 |
Intermediate Similarity | 0.7396 | NPC283152 |
Intermediate Similarity | 0.7396 | NPC184964 |
Intermediate Similarity | 0.7395 | NPC167908 |
Intermediate Similarity | 0.7391 | NPC141353 |
Intermediate Similarity | 0.7387 | NPC324149 |
Intermediate Similarity | 0.7385 | NPC190007 |
Intermediate Similarity | 0.7379 | NPC304183 |
Intermediate Similarity | 0.7376 | NPC306376 |
Intermediate Similarity | 0.7374 | NPC95783 |
Intermediate Similarity | 0.7371 | NPC473179 |
Intermediate Similarity | 0.7368 | NPC294375 |
Intermediate Similarity | 0.7366 | NPC63338 |
Intermediate Similarity | 0.7366 | NPC475774 |
Intermediate Similarity | 0.7366 | NPC322976 |
Intermediate Similarity | 0.7366 | NPC324203 |
Intermediate Similarity | 0.7366 | NPC476138 |
Intermediate Similarity | 0.7366 | NPC245816 |
Intermediate Similarity | 0.7358 | NPC472443 |
Intermediate Similarity | 0.7356 | NPC185782 |
Intermediate Similarity | 0.7352 | NPC476451 |
Intermediate Similarity | 0.735 | NPC307963 |
Intermediate Similarity | 0.735 | NPC329541 |
Intermediate Similarity | 0.735 | NPC45850 |
Intermediate Similarity | 0.735 | NPC230403 |
Intermediate Similarity | 0.7343 | NPC53344 |
Intermediate Similarity | 0.7333 | NPC94157 |
Intermediate Similarity | 0.7333 | NPC176127 |
Intermediate Similarity | 0.7333 | NPC212535 |
Intermediate Similarity | 0.7333 | NPC203168 |
Intermediate Similarity | 0.7333 | NPC473180 |
Intermediate Similarity | 0.733 | NPC164374 |
Intermediate Similarity | 0.733 | NPC137929 |
Intermediate Similarity | 0.733 | NPC474409 |
Intermediate Similarity | 0.7327 | NPC156704 |
Intermediate Similarity | 0.7323 | NPC230805 |
Intermediate Similarity | 0.7323 | NPC32771 |
Intermediate Similarity | 0.7312 | NPC84508 |
Intermediate Similarity | 0.7311 | NPC469928 |
Intermediate Similarity | 0.7304 | NPC329793 |
Intermediate Similarity | 0.7304 | NPC315957 |
Intermediate Similarity | 0.7304 | NPC315491 |
Intermediate Similarity | 0.7304 | NPC45459 |
Intermediate Similarity | 0.7301 | NPC208522 |
Intermediate Similarity | 0.7299 | NPC478074 |
Intermediate Similarity | 0.7299 | NPC266931 |
Intermediate Similarity | 0.7286 | NPC9894 |
Intermediate Similarity | 0.7285 | NPC473182 |
Intermediate Similarity | 0.7282 | NPC474798 |
Intermediate Similarity | 0.7277 | NPC41501 |
Intermediate Similarity | 0.7273 | NPC66083 |
Intermediate Similarity | 0.7273 | NPC209769 |
Intermediate Similarity | 0.7269 | NPC470501 |
Intermediate Similarity | 0.7268 | NPC270009 |
Intermediate Similarity | 0.7263 | NPC317430 |
Intermediate Similarity | 0.726 | NPC88008 |
Intermediate Similarity | 0.726 | NPC270918 |
Intermediate Similarity | 0.7259 | NPC476319 |
Intermediate Similarity | 0.7256 | NPC225279 |
Intermediate Similarity | 0.7255 | NPC32200 |
Intermediate Similarity | 0.7254 | NPC134586 |
Intermediate Similarity | 0.7251 | NPC48353 |
Intermediate Similarity | 0.725 | NPC469390 |
Intermediate Similarity | 0.7248 | NPC202503 |
Intermediate Similarity | 0.7245 | NPC472444 |
Intermediate Similarity | 0.7245 | NPC472109 |
Intermediate Similarity | 0.7245 | NPC472110 |
Intermediate Similarity | 0.7241 | NPC243834 |
Intermediate Similarity | 0.7241 | NPC70956 |
Intermediate Similarity | 0.724 | NPC313791 |
Intermediate Similarity | 0.724 | NPC469554 |
Intermediate Similarity | 0.7238 | NPC219664 |
Intermediate Similarity | 0.7237 | NPC471891 |
Intermediate Similarity | 0.723 | NPC330009 |
Intermediate Similarity | 0.723 | NPC74969 |
Intermediate Similarity | 0.7228 | NPC284348 |
Intermediate Similarity | 0.7228 | NPC326634 |
Intermediate Similarity | 0.7222 | NPC470502 |
Intermediate Similarity | 0.722 | NPC329747 |
Intermediate Similarity | 0.7216 | NPC326575 |
Intermediate Similarity | 0.7216 | NPC96890 |
Intermediate Similarity | 0.7216 | NPC211997 |
Intermediate Similarity | 0.7216 | NPC293472 |
Intermediate Similarity | 0.7209 | NPC148409 |
Intermediate Similarity | 0.7208 | NPC84478 |
Intermediate Similarity | 0.7208 | NPC320394 |
Intermediate Similarity | 0.7204 | NPC208284 |
Intermediate Similarity | 0.7202 | NPC312872 |
Intermediate Similarity | 0.72 | NPC144381 |
Intermediate Similarity | 0.72 | NPC76748 |
Intermediate Similarity | 0.7198 | NPC477135 |
Intermediate Similarity | 0.7195 | NPC477112 |
Intermediate Similarity | 0.7194 | NPC192270 |
Intermediate Similarity | 0.7192 | NPC472193 |
Intermediate Similarity | 0.7188 | NPC473183 |
Intermediate Similarity | 0.7183 | NPC118228 |
Intermediate Similarity | 0.7182 | NPC471598 |
Intermediate Similarity | 0.7182 | NPC274640 |
Intermediate Similarity | 0.7177 | NPC474595 |
Intermediate Similarity | 0.7171 | NPC280714 |
Intermediate Similarity | 0.717 | NPC316981 |
Intermediate Similarity | 0.717 | NPC294620 |
Molecular Weight   | 290.16 |
ALogP   | -2.0866 |
MLogP   | 2.67 |
XLogP   | 1.723 |
HDA   | 3 |
HBD   | 4 |
Rotatable Bonds   | 11 |
TPSA   | 85.61 |
RO5 Violation   | 0 |