Drug ID:   | NPD4721 |
Drug Name:   | Butorphanol Tartrate |
Molecular Formula:   | C21H29NO2.C4H6O6 |
Canonical SMILES:   | OC(C(C(=O)O)O)C(=O)O.Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)N(CC1)CC1CCC1)O |
Standard InCHI:   | InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;/m1./s1 |
Standard InCHIKey:   | GMTYREVWZXJPLF-SXWPHCFWSA-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 | 0.9091 | NPC124802 |
High Similarity | 0.9023 | NPC259665 |
High Similarity | 0.9023 | NPC89769 |
High Similarity | 0.9023 | NPC126859 |
High Similarity | 0.8872 | NPC66177 |
High Similarity | 0.8872 | NPC8305 |
High Similarity | 0.8872 | NPC268763 |
High Similarity | 0.875 | NPC149379 |
Intermediate Similarity | 0.8156 | NPC325568 |
Intermediate Similarity | 0.8029 | NPC307020 |
Intermediate Similarity | 0.7625 | NPC1229 |
Intermediate Similarity | 0.7516 | NPC324144 |
Intermediate Similarity | 0.75 | NPC27410 |
Intermediate Similarity | 0.75 | NPC166014 |
Intermediate Similarity | 0.7485 | NPC306555 |
Intermediate Similarity | 0.7485 | NPC145832 |
Intermediate Similarity | 0.7485 | NPC117188 |
Intermediate Similarity | 0.7485 | NPC205421 |
Intermediate Similarity | 0.7485 | NPC474931 |
Intermediate Similarity | 0.7485 | NPC81218 |
Intermediate Similarity | 0.7485 | NPC12053 |
Intermediate Similarity | 0.7485 | NPC158376 |
Intermediate Similarity | 0.747 | NPC329969 |
Intermediate Similarity | 0.7469 | NPC136508 |
Intermediate Similarity | 0.7469 | NPC477563 |
Intermediate Similarity | 0.7469 | NPC196447 |
Intermediate Similarity | 0.7469 | NPC78222 |
Intermediate Similarity | 0.7469 | NPC253043 |
Intermediate Similarity | 0.7469 | NPC306843 |
Intermediate Similarity | 0.7469 | NPC13504 |
Intermediate Similarity | 0.7469 | NPC96603 |
Intermediate Similarity | 0.7469 | NPC212794 |
Intermediate Similarity | 0.7445 | NPC141001 |
Intermediate Similarity | 0.7445 | NPC471668 |
Intermediate Similarity | 0.7426 | NPC471534 |
Intermediate Similarity | 0.7423 | NPC124657 |
Intermediate Similarity | 0.7417 | NPC470925 |
Intermediate Similarity | 0.74 | NPC211468 |
Intermediate Similarity | 0.74 | NPC219233 |
Intermediate Similarity | 0.74 | NPC170170 |
Intermediate Similarity | 0.7391 | NPC304510 |
Intermediate Similarity | 0.7391 | NPC172219 |
Intermediate Similarity | 0.7388 | NPC141782 |
Intermediate Similarity | 0.7368 | NPC11554 |
Intermediate Similarity | 0.7351 | NPC323123 |
Intermediate Similarity | 0.7338 | NPC471671 |
Intermediate Similarity | 0.7338 | NPC469609 |
Intermediate Similarity | 0.7337 | NPC126284 |
Intermediate Similarity | 0.7333 | NPC176279 |
Intermediate Similarity | 0.7333 | NPC260323 |
Intermediate Similarity | 0.7333 | NPC322753 |
Intermediate Similarity | 0.7329 | NPC221864 |
Intermediate Similarity | 0.7305 | NPC328504 |
Intermediate Similarity | 0.7299 | NPC195922 |
Intermediate Similarity | 0.7299 | NPC268160 |
Intermediate Similarity | 0.7294 | NPC305847 |
Intermediate Similarity | 0.7289 | NPC168753 |
Intermediate Similarity | 0.7289 | NPC118274 |
Intermediate Similarity | 0.7286 | NPC469644 |
Intermediate Similarity | 0.7286 | NPC93071 |
Intermediate Similarity | 0.7286 | NPC126002 |
Intermediate Similarity | 0.7284 | NPC271388 |
Intermediate Similarity | 0.7284 | NPC119649 |
Intermediate Similarity | 0.7284 | NPC235143 |
Intermediate Similarity | 0.7284 | NPC205255 |
Intermediate Similarity | 0.7284 | NPC230956 |
Intermediate Similarity | 0.7279 | NPC250323 |
Intermediate Similarity | 0.7278 | NPC326316 |
Intermediate Similarity | 0.7278 | NPC81733 |
Intermediate Similarity | 0.7273 | NPC298979 |
Intermediate Similarity | 0.7267 | NPC476572 |
Intermediate Similarity | 0.7259 | NPC13482 |
Intermediate Similarity | 0.7256 | NPC169743 |
Intermediate Similarity | 0.7251 | NPC302449 |
Intermediate Similarity | 0.7251 | NPC248642 |
Intermediate Similarity | 0.725 | NPC99659 |
Intermediate Similarity | 0.725 | NPC325871 |
Intermediate Similarity | 0.7246 | NPC35797 |
Intermediate Similarity | 0.7246 | NPC147179 |
Intermediate Similarity | 0.7246 | NPC239775 |
Intermediate Similarity | 0.7246 | NPC192948 |
Intermediate Similarity | 0.7244 | NPC476151 |
Intermediate Similarity | 0.7239 | NPC79402 |
Intermediate Similarity | 0.7239 | NPC80759 |
Intermediate Similarity | 0.7233 | NPC26601 |
Intermediate Similarity | 0.7226 | NPC185838 |
Intermediate Similarity | 0.7214 | NPC206 |
Intermediate Similarity | 0.7212 | NPC476573 |
Intermediate Similarity | 0.7212 | NPC35627 |
Intermediate Similarity | 0.7212 | NPC81247 |
Intermediate Similarity | 0.7209 | NPC156576 |
Intermediate Similarity | 0.7206 | NPC77772 |
Intermediate Similarity | 0.7206 | NPC95716 |
Intermediate Similarity | 0.7205 | NPC323443 |
Intermediate Similarity | 0.7205 | NPC180756 |
Intermediate Similarity | 0.7202 | NPC192135 |
Intermediate Similarity | 0.7202 | NPC66341 |
Intermediate Similarity | 0.7202 | NPC477020 |
Intermediate Similarity | 0.7194 | NPC308311 |
Intermediate Similarity | 0.7194 | NPC38893 |
Intermediate Similarity | 0.7194 | NPC219112 |
Intermediate Similarity | 0.7194 | NPC477137 |
Intermediate Similarity | 0.7194 | NPC308828 |
Intermediate Similarity | 0.7186 | NPC69712 |
Intermediate Similarity | 0.7186 | NPC26240 |
Intermediate Similarity | 0.7186 | NPC477562 |
Intermediate Similarity | 0.7181 | NPC132847 |
Intermediate Similarity | 0.7176 | NPC320223 |
Intermediate Similarity | 0.7176 | NPC114364 |
Intermediate Similarity | 0.7169 | NPC150879 |
Intermediate Similarity | 0.716 | NPC128560 |
Intermediate Similarity | 0.716 | NPC199465 |
Intermediate Similarity | 0.716 | NPC229166 |
Intermediate Similarity | 0.7153 | NPC46940 |
Intermediate Similarity | 0.7152 | NPC134858 |
Intermediate Similarity | 0.7152 | NPC255607 |
Intermediate Similarity | 0.7152 | NPC103379 |
Intermediate Similarity | 0.7152 | NPC477565 |
Intermediate Similarity | 0.7152 | NPC3375 |
Intermediate Similarity | 0.7143 | NPC477136 |
Intermediate Similarity | 0.7143 | NPC16030 |
Intermediate Similarity | 0.7134 | NPC191376 |
Intermediate Similarity | 0.7134 | NPC321505 |
Intermediate Similarity | 0.7134 | NPC179825 |
Intermediate Similarity | 0.7134 | NPC60186 |
Intermediate Similarity | 0.7133 | NPC475166 |
Intermediate Similarity | 0.7123 | NPC325294 |
Intermediate Similarity | 0.7123 | NPC321822 |
Intermediate Similarity | 0.7123 | NPC100414 |
Intermediate Similarity | 0.7123 | NPC43000 |
Intermediate Similarity | 0.7122 | NPC469719 |
Intermediate Similarity | 0.7114 | NPC3202 |
Intermediate Similarity | 0.7113 | NPC321133 |
Intermediate Similarity | 0.7113 | NPC99734 |
Intermediate Similarity | 0.7101 | NPC715 |
Intermediate Similarity | 0.7092 | NPC48342 |
Intermediate Similarity | 0.7092 | NPC154030 |
Intermediate Similarity | 0.7092 | NPC164649 |
Intermediate Similarity | 0.7091 | NPC233650 |
Intermediate Similarity | 0.7089 | NPC246587 |
Intermediate Similarity | 0.7089 | NPC24233 |
Intermediate Similarity | 0.7089 | NPC135538 |
Intermediate Similarity | 0.7089 | NPC476571 |
Intermediate Similarity | 0.7089 | NPC428 |
Intermediate Similarity | 0.7089 | NPC147390 |
Intermediate Similarity | 0.7083 | NPC471794 |
Intermediate Similarity | 0.708 | NPC266937 |
Intermediate Similarity | 0.708 | NPC151537 |
Intermediate Similarity | 0.708 | NPC470770 |
Intermediate Similarity | 0.7075 | NPC108164 |
Intermediate Similarity | 0.7073 | NPC226428 |
Intermediate Similarity | 0.7072 | NPC151470 |
Intermediate Similarity | 0.7072 | NPC64576 |
Intermediate Similarity | 0.7072 | NPC201055 |
Intermediate Similarity | 0.7072 | NPC254045 |
Intermediate Similarity | 0.7071 | NPC92 |
Intermediate Similarity | 0.7071 | NPC469663 |
Intermediate Similarity | 0.7071 | NPC82963 |
Intermediate Similarity | 0.7066 | NPC210140 |
Intermediate Similarity | 0.7059 | NPC150712 |
Intermediate Similarity | 0.7059 | NPC477558 |
Intermediate Similarity | 0.7055 | NPC124030 |
Intermediate Similarity | 0.7055 | NPC79328 |
Intermediate Similarity | 0.7052 | NPC476575 |
Intermediate Similarity | 0.7048 | NPC225774 |
Intermediate Similarity | 0.7048 | NPC209377 |
Intermediate Similarity | 0.7042 | NPC42657 |
Intermediate Similarity | 0.7039 | NPC66909 |
Intermediate Similarity | 0.7037 | NPC249797 |
Intermediate Similarity | 0.7037 | NPC193949 |
Intermediate Similarity | 0.7037 | NPC110416 |
Intermediate Similarity | 0.7037 | NPC39701 |
Intermediate Similarity | 0.7037 | NPC207757 |
Intermediate Similarity | 0.7037 | NPC54379 |
Intermediate Similarity | 0.7037 | NPC5238 |
Intermediate Similarity | 0.7037 | NPC276588 |
Intermediate Similarity | 0.7037 | NPC127674 |
Intermediate Similarity | 0.7037 | NPC204828 |
Intermediate Similarity | 0.7037 | NPC2413 |
Intermediate Similarity | 0.7037 | NPC189266 |
Intermediate Similarity | 0.7037 | NPC151477 |
Intermediate Similarity | 0.7037 | NPC295691 |
Intermediate Similarity | 0.7037 | NPC172765 |
Intermediate Similarity | 0.7037 | NPC469817 |
Intermediate Similarity | 0.7037 | NPC278799 |
Intermediate Similarity | 0.7037 | NPC184026 |
Intermediate Similarity | 0.7035 | NPC474507 |
Intermediate Similarity | 0.7035 | NPC99179 |
Intermediate Similarity | 0.7029 | NPC214116 |
Intermediate Similarity | 0.7029 | NPC62867 |
Intermediate Similarity | 0.7029 | NPC177962 |
Intermediate Similarity | 0.7021 | NPC299180 |
Intermediate Similarity | 0.7021 | NPC311737 |
Intermediate Similarity | 0.7021 | NPC38458 |
Intermediate Similarity | 0.7018 | NPC173416 |
Intermediate Similarity | 0.7018 | NPC476577 |
Intermediate Similarity | 0.7018 | NPC148709 |
Intermediate Similarity | 0.7014 | NPC77569 |
Intermediate Similarity | 0.7014 | NPC142198 |
Intermediate Similarity | 0.7006 | NPC476432 |
Molecular Weight   | 327.22 |
ALogP   | -1.6122 |
MLogP   | 3.44 |
XLogP   | 3.663 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 4 |
TPSA   | 43.7 |
RO5 Violation   | 0 |