Drug ID:   | NPD7714 |
Drug Name:   | Fexofenadine Hydrochloride |
Molecular Formula:   | C32H39NO4.ClH |
Canonical SMILES:   | OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C.Cl |
Standard InCHI:   | InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H |
Standard InCHIKey:   | RRJFVPUCXDGFJB-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 | 1.0 | NPC313663 |
Intermediate Similarity | 0.791 | NPC285394 |
Intermediate Similarity | 0.7846 | NPC212891 |
Intermediate Similarity | 0.7746 | NPC316906 |
Intermediate Similarity | 0.7717 | NPC292758 |
Intermediate Similarity | 0.7717 | NPC65855 |
Intermediate Similarity | 0.7717 | NPC158854 |
Intermediate Similarity | 0.7664 | NPC65310 |
Intermediate Similarity | 0.7656 | NPC475002 |
Intermediate Similarity | 0.7656 | NPC95126 |
Intermediate Similarity | 0.763 | NPC317474 |
Intermediate Similarity | 0.763 | NPC213126 |
Intermediate Similarity | 0.763 | NPC169485 |
Intermediate Similarity | 0.763 | NPC84281 |
Intermediate Similarity | 0.763 | NPC369 |
Intermediate Similarity | 0.763 | NPC291027 |
Intermediate Similarity | 0.763 | NPC293831 |
Intermediate Similarity | 0.7597 | NPC471188 |
Intermediate Similarity | 0.7519 | NPC45794 |
Intermediate Similarity | 0.7481 | NPC234337 |
Intermediate Similarity | 0.7481 | NPC133389 |
Intermediate Similarity | 0.7481 | NPC183339 |
Intermediate Similarity | 0.7444 | NPC105141 |
Intermediate Similarity | 0.7444 | NPC242764 |
Intermediate Similarity | 0.7424 | NPC221275 |
Intermediate Similarity | 0.7391 | NPC473938 |
Intermediate Similarity | 0.7376 | NPC69496 |
Intermediate Similarity | 0.7357 | NPC470753 |
Intermediate Similarity | 0.7357 | NPC253681 |
Intermediate Similarity | 0.7357 | NPC473220 |
Intermediate Similarity | 0.7344 | NPC142326 |
Intermediate Similarity | 0.7344 | NPC94751 |
Intermediate Similarity | 0.7325 | NPC476750 |
Intermediate Similarity | 0.7312 | NPC476749 |
Intermediate Similarity | 0.7305 | NPC51448 |
Intermediate Similarity | 0.7305 | NPC115797 |
Intermediate Similarity | 0.7286 | NPC470765 |
Intermediate Similarity | 0.7286 | NPC275576 |
Intermediate Similarity | 0.7279 | NPC150712 |
Intermediate Similarity | 0.7267 | NPC328824 |
Intermediate Similarity | 0.7266 | NPC85511 |
Intermediate Similarity | 0.7266 | NPC77691 |
Intermediate Similarity | 0.7248 | NPC473922 |
Intermediate Similarity | 0.7246 | NPC167323 |
Intermediate Similarity | 0.7246 | NPC269923 |
Intermediate Similarity | 0.7241 | NPC475318 |
Intermediate Similarity | 0.7241 | NPC474855 |
Intermediate Similarity | 0.7241 | NPC9687 |
Intermediate Similarity | 0.7241 | NPC118099 |
Intermediate Similarity | 0.7241 | NPC49577 |
Intermediate Similarity | 0.7241 | NPC151706 |
Intermediate Similarity | 0.7241 | NPC293377 |
Intermediate Similarity | 0.7241 | NPC76785 |
Intermediate Similarity | 0.7241 | NPC260045 |
Intermediate Similarity | 0.7241 | NPC475598 |
Intermediate Similarity | 0.7241 | NPC474811 |
Intermediate Similarity | 0.7241 | NPC90194 |
Intermediate Similarity | 0.7241 | NPC474787 |
Intermediate Similarity | 0.7241 | NPC476102 |
Intermediate Similarity | 0.7241 | NPC273907 |
Intermediate Similarity | 0.7241 | NPC79465 |
Intermediate Similarity | 0.7234 | NPC169913 |
Intermediate Similarity | 0.7234 | NPC199738 |
Intermediate Similarity | 0.7234 | NPC210950 |
Intermediate Similarity | 0.7226 | NPC190663 |
Intermediate Similarity | 0.7222 | NPC233910 |
Intermediate Similarity | 0.7222 | NPC245836 |
Intermediate Similarity | 0.7214 | NPC474847 |
Intermediate Similarity | 0.7214 | NPC4974 |
Intermediate Similarity | 0.7206 | NPC254233 |
Intermediate Similarity | 0.7203 | NPC183722 |
Intermediate Similarity | 0.7194 | NPC273336 |
Intermediate Similarity | 0.7194 | NPC182333 |
Intermediate Similarity | 0.7192 | NPC478140 |
Intermediate Similarity | 0.7192 | NPC471864 |
Intermediate Similarity | 0.7171 | NPC94602 |
Intermediate Similarity | 0.7152 | NPC475578 |
Intermediate Similarity | 0.7132 | NPC471186 |
Intermediate Similarity | 0.7123 | NPC475627 |
Intermediate Similarity | 0.7123 | NPC18982 |
Intermediate Similarity | 0.7123 | NPC475457 |
Intermediate Similarity | 0.7123 | NPC473360 |
Intermediate Similarity | 0.7123 | NPC475346 |
Intermediate Similarity | 0.7123 | NPC203486 |
Intermediate Similarity | 0.7122 | NPC160493 |
Intermediate Similarity | 0.7113 | NPC5486 |
Intermediate Similarity | 0.7109 | NPC19856 |
Intermediate Similarity | 0.7103 | NPC244866 |
Intermediate Similarity | 0.7097 | NPC275839 |
Intermediate Similarity | 0.7095 | NPC153007 |
Intermediate Similarity | 0.7095 | NPC262324 |
Intermediate Similarity | 0.707 | NPC93343 |
Intermediate Similarity | 0.7059 | NPC476757 |
Intermediate Similarity | 0.7055 | NPC132847 |
Intermediate Similarity | 0.705 | NPC472981 |
Intermediate Similarity | 0.7029 | NPC472708 |
Intermediate Similarity | 0.7027 | NPC472804 |
Intermediate Similarity | 0.7023 | NPC27252 |
Intermediate Similarity | 0.7023 | NPC472979 |
Intermediate Similarity | 0.7021 | NPC307020 |
Intermediate Similarity | 0.7007 | NPC48929 |
Intermediate Similarity | 0.7007 | NPC126516 |
Intermediate Similarity | 0.7 | NPC105899 |
Intermediate Similarity | 0.7 | NPC26285 |
Intermediate Similarity | 0.7 | NPC79921 |
Remote Similarity | 0.6993 | NPC89923 |
Remote Similarity | 0.6993 | NPC71933 |
Remote Similarity | 0.6993 | NPC239990 |
Remote Similarity | 0.6993 | NPC472556 |
Remote Similarity | 0.6993 | NPC105114 |
Remote Similarity | 0.6993 | NPC152850 |
Remote Similarity | 0.6992 | NPC133308 |
Remote Similarity | 0.698 | NPC249817 |
Remote Similarity | 0.698 | NPC243893 |
Remote Similarity | 0.6978 | NPC470585 |
Remote Similarity | 0.6972 | NPC47667 |
Remote Similarity | 0.697 | NPC159767 |
Remote Similarity | 0.697 | NPC155506 |
Remote Similarity | 0.6966 | NPC126859 |
Remote Similarity | 0.6966 | NPC259665 |
Remote Similarity | 0.6966 | NPC89769 |
Remote Similarity | 0.6962 | NPC217801 |
Remote Similarity | 0.6954 | NPC224491 |
Remote Similarity | 0.6954 | NPC475128 |
Remote Similarity | 0.6953 | NPC225079 |
Remote Similarity | 0.6953 | NPC128248 |
Remote Similarity | 0.6953 | NPC469481 |
Remote Similarity | 0.6953 | NPC136810 |
Remote Similarity | 0.6953 | NPC133809 |
Remote Similarity | 0.695 | NPC472415 |
Remote Similarity | 0.6944 | NPC472413 |
Remote Similarity | 0.6944 | NPC40488 |
Remote Similarity | 0.6944 | NPC116057 |
Remote Similarity | 0.694 | NPC66208 |
Remote Similarity | 0.694 | NPC471189 |
Remote Similarity | 0.6939 | NPC90693 |
Remote Similarity | 0.6939 | NPC64897 |
Remote Similarity | 0.6933 | NPC22676 |
Remote Similarity | 0.6933 | NPC198621 |
Remote Similarity | 0.6933 | NPC475482 |
Remote Similarity | 0.6933 | NPC239770 |
Remote Similarity | 0.6933 | NPC216940 |
Remote Similarity | 0.6928 | NPC475122 |
Remote Similarity | 0.6923 | NPC137416 |
Remote Similarity | 0.6923 | NPC136453 |
Remote Similarity | 0.6918 | NPC42423 |
Remote Similarity | 0.6918 | NPC257390 |
Remote Similarity | 0.6918 | NPC246913 |
Remote Similarity | 0.6914 | NPC253738 |
Remote Similarity | 0.6913 | NPC279463 |
Remote Similarity | 0.6913 | NPC281104 |
Remote Similarity | 0.6913 | NPC477874 |
Remote Similarity | 0.6913 | NPC173569 |
Remote Similarity | 0.6913 | NPC472374 |
Remote Similarity | 0.6913 | NPC472372 |
Remote Similarity | 0.6912 | NPC186933 |
Remote Similarity | 0.6906 | NPC42657 |
Remote Similarity | 0.6901 | NPC307139 |
Remote Similarity | 0.6899 | NPC304873 |
Remote Similarity | 0.6894 | NPC472980 |
Remote Similarity | 0.6894 | NPC249811 |
Remote Similarity | 0.6892 | NPC329913 |
Remote Similarity | 0.689 | NPC30171 |
Remote Similarity | 0.6883 | NPC476973 |
Remote Similarity | 0.6883 | NPC472571 |
Remote Similarity | 0.6883 | NPC177940 |
Remote Similarity | 0.6883 | NPC473088 |
Remote Similarity | 0.6883 | NPC472572 |
Remote Similarity | 0.6883 | NPC158663 |
Remote Similarity | 0.6883 | NPC174982 |
Remote Similarity | 0.6883 | NPC470157 |
Remote Similarity | 0.6883 | NPC29704 |
Remote Similarity | 0.6883 | NPC472575 |
Remote Similarity | 0.6883 | NPC184817 |
Remote Similarity | 0.6883 | NPC171525 |
Remote Similarity | 0.6883 | NPC96903 |
Remote Similarity | 0.6883 | NPC200471 |
Remote Similarity | 0.6883 | NPC70403 |
Remote Similarity | 0.6883 | NPC470159 |
Remote Similarity | 0.6883 | NPC472568 |
Remote Similarity | 0.6883 | NPC469349 |
Remote Similarity | 0.6883 | NPC471104 |
Remote Similarity | 0.6875 | NPC190849 |
Remote Similarity | 0.6875 | NPC171007 |
Remote Similarity | 0.687 | NPC243601 |
Remote Similarity | 0.6863 | NPC477468 |
Remote Similarity | 0.6863 | NPC163087 |
Remote Similarity | 0.6863 | NPC91703 |
Remote Similarity | 0.6861 | NPC9274 |
Remote Similarity | 0.6859 | NPC266265 |
Remote Similarity | 0.6859 | NPC92293 |
Remote Similarity | 0.6859 | NPC270590 |
Remote Similarity | 0.6859 | NPC301556 |
Remote Similarity | 0.6859 | NPC471101 |
Remote Similarity | 0.6857 | NPC478016 |
Remote Similarity | 0.6857 | NPC80150 |
Remote Similarity | 0.6857 | NPC478014 |
Remote Similarity | 0.6857 | NPC172769 |
Remote Similarity | 0.6857 | NPC166521 |
Remote Similarity | 0.6857 | NPC184195 |
Molecular Weight   | 501.29 |
ALogP   | -1.9916 |
MLogP   | 4.43 |
XLogP   | 8.403 |
HDA   | 5 |
HBD   | 3 |
Rotatable Bonds   | 15 |
TPSA   | 81 |
RO5 Violation   | 1 |