Drug ID:   | NPD5981 |
Drug Name:   | Sacubitril |
Molecular Formula:   | C24H29NO5 |
Canonical SMILES:   | CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)N=C(CCC(=O)O)O)C |
Standard InCHI:   | InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1 |
Standard InCHIKey:   | PYNXFZCZUAOOQC-UTKZUKDTSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL; 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 | 0.8264 | NPC310467 |
Intermediate Similarity | 0.8182 | NPC169328 |
Intermediate Similarity | 0.813 | NPC80150 |
Intermediate Similarity | 0.813 | NPC478014 |
Intermediate Similarity | 0.813 | NPC478016 |
Intermediate Similarity | 0.813 | NPC478015 |
Intermediate Similarity | 0.8095 | NPC47667 |
Intermediate Similarity | 0.8051 | NPC319579 |
Intermediate Similarity | 0.8017 | NPC197470 |
Intermediate Similarity | 0.8 | NPC246913 |
Intermediate Similarity | 0.7984 | NPC190663 |
Intermediate Similarity | 0.7965 | NPC12730 |
Intermediate Similarity | 0.7953 | NPC4974 |
Intermediate Similarity | 0.7937 | NPC35996 |
Intermediate Similarity | 0.7917 | NPC474584 |
Intermediate Similarity | 0.7857 | NPC160493 |
Intermediate Similarity | 0.784 | NPC45777 |
Intermediate Similarity | 0.784 | NPC477061 |
Intermediate Similarity | 0.7833 | NPC329011 |
Intermediate Similarity | 0.7823 | NPC237420 |
Intermediate Similarity | 0.7712 | NPC327481 |
Intermediate Similarity | 0.7607 | NPC164859 |
Intermediate Similarity | 0.7581 | NPC188010 |
Intermediate Similarity | 0.7557 | NPC210950 |
Intermediate Similarity | 0.7557 | NPC199738 |
Intermediate Similarity | 0.754 | NPC314992 |
Intermediate Similarity | 0.7519 | NPC183722 |
Intermediate Similarity | 0.75 | NPC472413 |
Intermediate Similarity | 0.7481 | NPC477937 |
Intermediate Similarity | 0.7458 | NPC471317 |
Intermediate Similarity | 0.7417 | NPC191215 |
Intermediate Similarity | 0.7417 | NPC274089 |
Intermediate Similarity | 0.741 | NPC161069 |
Intermediate Similarity | 0.7395 | NPC194390 |
Intermediate Similarity | 0.7395 | NPC88267 |
Intermediate Similarity | 0.7395 | NPC224610 |
Intermediate Similarity | 0.7395 | NPC113326 |
Intermediate Similarity | 0.7391 | NPC25565 |
Intermediate Similarity | 0.7381 | NPC2265 |
Intermediate Similarity | 0.7377 | NPC158854 |
Intermediate Similarity | 0.7372 | NPC208725 |
Intermediate Similarity | 0.7368 | NPC116057 |
Intermediate Similarity | 0.7353 | NPC90693 |
Intermediate Similarity | 0.7353 | NPC64897 |
Intermediate Similarity | 0.7339 | NPC273814 |
Intermediate Similarity | 0.7338 | NPC239770 |
Intermediate Similarity | 0.7328 | NPC473501 |
Intermediate Similarity | 0.7328 | NPC311242 |
Intermediate Similarity | 0.7328 | NPC475439 |
Intermediate Similarity | 0.7323 | NPC470545 |
Intermediate Similarity | 0.7308 | NPC84281 |
Intermediate Similarity | 0.7308 | NPC213126 |
Intermediate Similarity | 0.7308 | NPC317474 |
Intermediate Similarity | 0.7308 | NPC291027 |
Intermediate Similarity | 0.7308 | NPC169485 |
Intermediate Similarity | 0.7304 | NPC303045 |
Intermediate Similarity | 0.7304 | NPC58674 |
Intermediate Similarity | 0.7304 | NPC161972 |
Intermediate Similarity | 0.7302 | NPC235421 |
Intermediate Similarity | 0.7273 | NPC472414 |
Intermediate Similarity | 0.7266 | NPC470546 |
Intermediate Similarity | 0.7252 | NPC472415 |
Intermediate Similarity | 0.7244 | NPC470544 |
Intermediate Similarity | 0.7241 | NPC470274 |
Intermediate Similarity | 0.7239 | NPC296712 |
Intermediate Similarity | 0.7222 | NPC33742 |
Intermediate Similarity | 0.7213 | NPC21929 |
Intermediate Similarity | 0.7203 | NPC138775 |
Intermediate Similarity | 0.7193 | NPC245259 |
Intermediate Similarity | 0.7185 | NPC69496 |
Intermediate Similarity | 0.7183 | NPC209509 |
Intermediate Similarity | 0.7179 | NPC293628 |
Intermediate Similarity | 0.7179 | NPC10781 |
Intermediate Similarity | 0.7179 | NPC122493 |
Intermediate Similarity | 0.7143 | NPC276949 |
Intermediate Similarity | 0.7143 | NPC35850 |
Intermediate Similarity | 0.7133 | NPC262216 |
Intermediate Similarity | 0.713 | NPC323164 |
Intermediate Similarity | 0.7122 | NPC127741 |
Intermediate Similarity | 0.7119 | NPC322598 |
Intermediate Similarity | 0.7111 | NPC71271 |
Intermediate Similarity | 0.7105 | NPC70940 |
Intermediate Similarity | 0.7105 | NPC274455 |
Intermediate Similarity | 0.7105 | NPC316108 |
Intermediate Similarity | 0.7105 | NPC172128 |
Intermediate Similarity | 0.7105 | NPC86670 |
Intermediate Similarity | 0.7092 | NPC263493 |
Intermediate Similarity | 0.7092 | NPC269398 |
Intermediate Similarity | 0.708 | NPC45191 |
Intermediate Similarity | 0.708 | NPC42423 |
Intermediate Similarity | 0.708 | NPC325441 |
Intermediate Similarity | 0.7059 | NPC478147 |
Intermediate Similarity | 0.7059 | NPC325651 |
Intermediate Similarity | 0.7049 | NPC67043 |
Intermediate Similarity | 0.7049 | NPC211551 |
Intermediate Similarity | 0.7045 | NPC474862 |
Intermediate Similarity | 0.7043 | NPC226438 |
Intermediate Similarity | 0.7042 | NPC139326 |
Intermediate Similarity | 0.7034 | NPC105717 |
Intermediate Similarity | 0.7034 | NPC226041 |
Intermediate Similarity | 0.7034 | NPC324569 |
Intermediate Similarity | 0.7029 | NPC313663 |
Intermediate Similarity | 0.7029 | NPC470392 |
Intermediate Similarity | 0.7029 | NPC245836 |
Intermediate Similarity | 0.7029 | NPC244866 |
Intermediate Similarity | 0.7029 | NPC233910 |
Intermediate Similarity | 0.7025 | NPC202613 |
Intermediate Similarity | 0.7023 | NPC476183 |
Intermediate Similarity | 0.7021 | NPC239762 |
Intermediate Similarity | 0.7021 | NPC163392 |
Intermediate Similarity | 0.7018 | NPC470877 |
Intermediate Similarity | 0.7018 | NPC9822 |
Intermediate Similarity | 0.7015 | NPC474847 |
Intermediate Similarity | 0.7 | NPC225079 |
Intermediate Similarity | 0.7 | NPC133809 |
Intermediate Similarity | 0.7 | NPC128248 |
Intermediate Similarity | 0.7 | NPC136810 |
Remote Similarity | 0.6993 | NPC476978 |
Remote Similarity | 0.6992 | NPC94751 |
Remote Similarity | 0.6992 | NPC142326 |
Remote Similarity | 0.6985 | NPC473322 |
Remote Similarity | 0.6985 | NPC111428 |
Remote Similarity | 0.697 | NPC476184 |
Remote Similarity | 0.697 | NPC476281 |
Remote Similarity | 0.697 | NPC71684 |
Remote Similarity | 0.6959 | NPC122590 |
Remote Similarity | 0.6959 | NPC472761 |
Remote Similarity | 0.6957 | NPC326966 |
Remote Similarity | 0.6957 | NPC471307 |
Remote Similarity | 0.6957 | NPC74936 |
Remote Similarity | 0.6957 | NPC209764 |
Remote Similarity | 0.6957 | NPC159178 |
Remote Similarity | 0.6957 | NPC258627 |
Remote Similarity | 0.6957 | NPC141139 |
Remote Similarity | 0.6957 | NPC121872 |
Remote Similarity | 0.6957 | NPC78041 |
Remote Similarity | 0.695 | NPC132636 |
Remote Similarity | 0.6947 | NPC319950 |
Remote Similarity | 0.6947 | NPC202015 |
Remote Similarity | 0.6944 | NPC5620 |
Remote Similarity | 0.694 | NPC473938 |
Remote Similarity | 0.694 | NPC317758 |
Remote Similarity | 0.6937 | NPC44830 |
Remote Similarity | 0.6929 | NPC279045 |
Remote Similarity | 0.6929 | NPC314835 |
Remote Similarity | 0.6929 | NPC113325 |
Remote Similarity | 0.6923 | NPC91953 |
Remote Similarity | 0.6923 | NPC261709 |
Remote Similarity | 0.6923 | NPC254088 |
Remote Similarity | 0.6923 | NPC108852 |
Remote Similarity | 0.6923 | NPC111586 |
Remote Similarity | 0.6923 | NPC197682 |
Remote Similarity | 0.6917 | NPC221825 |
Remote Similarity | 0.6912 | NPC89923 |
Remote Similarity | 0.6912 | NPC71933 |
Remote Similarity | 0.6912 | NPC239990 |
Remote Similarity | 0.6912 | NPC476353 |
Remote Similarity | 0.6912 | NPC105114 |
Remote Similarity | 0.6912 | NPC152850 |
Remote Similarity | 0.6905 | NPC313981 |
Remote Similarity | 0.6899 | NPC9274 |
Remote Similarity | 0.6897 | NPC262077 |
Remote Similarity | 0.6897 | NPC314114 |
Remote Similarity | 0.6891 | NPC477767 |
Remote Similarity | 0.6889 | NPC101719 |
Remote Similarity | 0.6884 | NPC255447 |
Remote Similarity | 0.6879 | NPC471264 |
Remote Similarity | 0.6879 | NPC68865 |
Remote Similarity | 0.6879 | NPC6570 |
Remote Similarity | 0.6879 | NPC471265 |
Remote Similarity | 0.6879 | NPC43755 |
Remote Similarity | 0.6879 | NPC175870 |
Remote Similarity | 0.6866 | NPC6975 |
Remote Similarity | 0.6866 | NPC476278 |
Remote Similarity | 0.686 | NPC469457 |
Remote Similarity | 0.6857 | NPC477680 |
Remote Similarity | 0.6857 | NPC228511 |
Remote Similarity | 0.6853 | NPC197921 |
Remote Similarity | 0.6853 | NPC168113 |
Remote Similarity | 0.6849 | NPC237240 |
Remote Similarity | 0.6849 | NPC31171 |
Remote Similarity | 0.6846 | NPC286551 |
Remote Similarity | 0.6842 | NPC322387 |
Remote Similarity | 0.6838 | NPC136453 |
Remote Similarity | 0.6831 | NPC476133 |
Remote Similarity | 0.6831 | NPC92784 |
Remote Similarity | 0.6831 | NPC470884 |
Remote Similarity | 0.6831 | NPC98424 |
Remote Similarity | 0.6831 | NPC178662 |
Remote Similarity | 0.6829 | NPC19136 |
Remote Similarity | 0.6822 | NPC471318 |
Remote Similarity | 0.6815 | NPC318067 |
Remote Similarity | 0.6815 | NPC476241 |
Remote Similarity | 0.6815 | NPC222466 |
Remote Similarity | 0.6815 | NPC476260 |
Remote Similarity | 0.6814 | NPC475710 |
Remote Similarity | 0.681 | NPC84288 |
Remote Similarity | 0.6806 | NPC176226 |
Remote Similarity | 0.6806 | NPC57976 |
Remote Similarity | 0.6803 | NPC173934 |
TTD   | |
DrugBank   | DB09292 |
ChEMBL   | CHEMBL3137301 |
IUPHAR/BPS   | 7857 |
PharmaGKB   | PA166131580 |
KEGG Drug   | D10225 |
PubChem CID   | |
ChEBI   | 134714 |
CAS Number   | 149709-62-6 |
Molecular Weight   | 411.20 |
ALogP   | 0.4601 |
MLogP   | 3.44 |
XLogP   | 7.454 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 16 |
TPSA   | 96.19 |
RO5 Violation   | 2 |