Drug ID:   | NPD7777 |
Drug Name:   | Atorvastatin |
Molecular Formula:   | C33H35FN2O5 |
Canonical SMILES:   | OC(CC(CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=Nc1ccccc1)O |
Standard InCHI:   | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1 |
Standard InCHIKey:   | XUKUURHRXDUEBC-UHFFFAOYSA-M |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | NPC102008 |
Intermediate Similarity | 0.7952 | NPC33949 |
Intermediate Similarity | 0.7947 | NPC472323 |
Intermediate Similarity | 0.7819 | NPC15840 |
Intermediate Similarity | 0.77 | NPC476874 |
Intermediate Similarity | 0.7624 | NPC314648 |
Intermediate Similarity | 0.7619 | NPC326575 |
Intermediate Similarity | 0.7565 | NPC79062 |
Intermediate Similarity | 0.7565 | NPC472107 |
Intermediate Similarity | 0.7538 | NPC175474 |
Intermediate Similarity | 0.7534 | NPC285343 |
Intermediate Similarity | 0.7525 | NPC193761 |
Intermediate Similarity | 0.7524 | NPC314834 |
Intermediate Similarity | 0.7513 | NPC472119 |
Intermediate Similarity | 0.7513 | NPC55493 |
Intermediate Similarity | 0.7512 | NPC79129 |
Intermediate Similarity | 0.7512 | NPC195461 |
Intermediate Similarity | 0.7512 | NPC81654 |
Intermediate Similarity | 0.7512 | NPC249150 |
Intermediate Similarity | 0.7512 | NPC49196 |
Intermediate Similarity | 0.7512 | NPC313985 |
Intermediate Similarity | 0.75 | NPC50503 |
Intermediate Similarity | 0.75 | NPC158129 |
Intermediate Similarity | 0.7474 | NPC24594 |
Intermediate Similarity | 0.7474 | NPC472122 |
Intermediate Similarity | 0.7464 | NPC478157 |
Intermediate Similarity | 0.7463 | NPC241024 |
Intermediate Similarity | 0.7463 | NPC315545 |
Intermediate Similarity | 0.7463 | NPC314297 |
Intermediate Similarity | 0.7462 | NPC472097 |
Intermediate Similarity | 0.7455 | NPC28945 |
Intermediate Similarity | 0.7441 | NPC281049 |
Intermediate Similarity | 0.744 | NPC234999 |
Intermediate Similarity | 0.7429 | NPC74969 |
Intermediate Similarity | 0.7421 | NPC469938 |
Intermediate Similarity | 0.7415 | NPC313345 |
Intermediate Similarity | 0.7415 | NPC314855 |
Intermediate Similarity | 0.7415 | NPC313796 |
Intermediate Similarity | 0.7415 | NPC315638 |
Intermediate Similarity | 0.7413 | NPC149708 |
Intermediate Similarity | 0.7413 | NPC52557 |
Intermediate Similarity | 0.7413 | NPC474916 |
Intermediate Similarity | 0.7409 | NPC113626 |
Intermediate Similarity | 0.7397 | NPC220852 |
Intermediate Similarity | 0.7385 | NPC14288 |
Intermediate Similarity | 0.7385 | NPC62510 |
Intermediate Similarity | 0.7379 | NPC53344 |
Intermediate Similarity | 0.7371 | NPC472104 |
Intermediate Similarity | 0.7368 | NPC75634 |
Intermediate Similarity | 0.7361 | NPC24370 |
Intermediate Similarity | 0.7361 | NPC319232 |
Intermediate Similarity | 0.7361 | NPC214142 |
Intermediate Similarity | 0.7358 | NPC187827 |
Intermediate Similarity | 0.7358 | NPC472105 |
Intermediate Similarity | 0.7352 | NPC54803 |
Intermediate Similarity | 0.7352 | NPC475720 |
Intermediate Similarity | 0.7352 | NPC321592 |
Intermediate Similarity | 0.7352 | NPC474192 |
Intermediate Similarity | 0.7339 | NPC223409 |
Intermediate Similarity | 0.7339 | NPC322135 |
Intermediate Similarity | 0.7333 | NPC258480 |
Intermediate Similarity | 0.7333 | NPC470003 |
Intermediate Similarity | 0.733 | NPC238457 |
Intermediate Similarity | 0.7327 | NPC261251 |
Intermediate Similarity | 0.7313 | NPC245916 |
Intermediate Similarity | 0.7295 | NPC323927 |
Intermediate Similarity | 0.7294 | NPC100547 |
Intermediate Similarity | 0.7286 | NPC475778 |
Intermediate Similarity | 0.7282 | NPC472109 |
Intermediate Similarity | 0.7282 | NPC472110 |
Intermediate Similarity | 0.7281 | NPC473506 |
Intermediate Similarity | 0.7268 | NPC162730 |
Intermediate Similarity | 0.7265 | NPC473565 |
Intermediate Similarity | 0.7264 | NPC181502 |
Intermediate Similarity | 0.7264 | NPC85066 |
Intermediate Similarity | 0.7264 | NPC469928 |
Intermediate Similarity | 0.726 | NPC258062 |
Intermediate Similarity | 0.726 | NPC95240 |
Intermediate Similarity | 0.726 | NPC127677 |
Intermediate Similarity | 0.7259 | NPC66210 |
Intermediate Similarity | 0.7259 | NPC315555 |
Intermediate Similarity | 0.7259 | NPC478077 |
Intermediate Similarity | 0.7256 | NPC473317 |
Intermediate Similarity | 0.7255 | NPC294909 |
Intermediate Similarity | 0.7255 | NPC254240 |
Intermediate Similarity | 0.7255 | NPC312870 |
Intermediate Similarity | 0.7255 | NPC128265 |
Intermediate Similarity | 0.7255 | NPC199851 |
Intermediate Similarity | 0.7255 | NPC214428 |
Intermediate Similarity | 0.7251 | NPC229348 |
Intermediate Similarity | 0.725 | NPC471448 |
Intermediate Similarity | 0.7248 | NPC34580 |
Intermediate Similarity | 0.7248 | NPC124920 |
Intermediate Similarity | 0.7248 | NPC118559 |
Intermediate Similarity | 0.7248 | NPC304307 |
Intermediate Similarity | 0.7246 | NPC277350 |
Intermediate Similarity | 0.7246 | NPC18661 |
Intermediate Similarity | 0.7245 | NPC207851 |
Intermediate Similarity | 0.7236 | NPC329858 |
Intermediate Similarity | 0.7235 | NPC141428 |
Intermediate Similarity | 0.7235 | NPC476818 |
Intermediate Similarity | 0.7233 | NPC476115 |
Intermediate Similarity | 0.7233 | NPC98715 |
Intermediate Similarity | 0.7231 | NPC71037 |
Intermediate Similarity | 0.7225 | NPC469743 |
Intermediate Similarity | 0.7225 | NPC478158 |
Intermediate Similarity | 0.7216 | NPC133261 |
Intermediate Similarity | 0.7215 | NPC475644 |
Intermediate Similarity | 0.7215 | NPC470486 |
Intermediate Similarity | 0.7215 | NPC471190 |
Intermediate Similarity | 0.7215 | NPC471977 |
Intermediate Similarity | 0.7212 | NPC225821 |
Intermediate Similarity | 0.7212 | NPC46225 |
Intermediate Similarity | 0.7212 | NPC474905 |
Intermediate Similarity | 0.7207 | NPC263937 |
Intermediate Similarity | 0.7207 | NPC94428 |
Intermediate Similarity | 0.7204 | NPC292517 |
Intermediate Similarity | 0.7204 | NPC472098 |
Intermediate Similarity | 0.7202 | NPC134586 |
Intermediate Similarity | 0.7202 | NPC150048 |
Intermediate Similarity | 0.7202 | NPC203754 |
Intermediate Similarity | 0.72 | NPC473763 |
Intermediate Similarity | 0.72 | NPC117244 |
Intermediate Similarity | 0.7195 | NPC30456 |
Intermediate Similarity | 0.7194 | NPC143533 |
Intermediate Similarity | 0.7184 | NPC474116 |
Intermediate Similarity | 0.7184 | NPC57398 |
Intermediate Similarity | 0.7183 | NPC476114 |
Intermediate Similarity | 0.7183 | NPC203614 |
Intermediate Similarity | 0.7183 | NPC30570 |
Intermediate Similarity | 0.7183 | NPC204491 |
Intermediate Similarity | 0.7183 | NPC330009 |
Intermediate Similarity | 0.7182 | NPC326363 |
Intermediate Similarity | 0.7178 | NPC276517 |
Intermediate Similarity | 0.7172 | NPC90415 |
Intermediate Similarity | 0.717 | NPC317752 |
Intermediate Similarity | 0.7169 | NPC475600 |
Intermediate Similarity | 0.7169 | NPC476110 |
Intermediate Similarity | 0.7169 | NPC211920 |
Intermediate Similarity | 0.7169 | NPC87152 |
Intermediate Similarity | 0.7169 | NPC475631 |
Intermediate Similarity | 0.7169 | NPC57690 |
Intermediate Similarity | 0.7165 | NPC211997 |
Intermediate Similarity | 0.7165 | NPC234987 |
Intermediate Similarity | 0.7163 | NPC472111 |
Intermediate Similarity | 0.7163 | NPC52254 |
Intermediate Similarity | 0.7162 | NPC284888 |
Intermediate Similarity | 0.7162 | NPC323752 |
Intermediate Similarity | 0.7162 | NPC473105 |
Intermediate Similarity | 0.7157 | NPC472284 |
Intermediate Similarity | 0.7156 | NPC235885 |
Intermediate Similarity | 0.7156 | NPC475816 |
Intermediate Similarity | 0.7156 | NPC125597 |
Intermediate Similarity | 0.7156 | NPC475137 |
Intermediate Similarity | 0.7156 | NPC475498 |
Intermediate Similarity | 0.7156 | NPC253482 |
Intermediate Similarity | 0.715 | NPC472285 |
Intermediate Similarity | 0.715 | NPC314333 |
Intermediate Similarity | 0.715 | NPC165599 |
Intermediate Similarity | 0.7149 | NPC475596 |
Intermediate Similarity | 0.7149 | NPC475303 |
Intermediate Similarity | 0.7143 | NPC271862 |
Intermediate Similarity | 0.7143 | NPC205403 |
Intermediate Similarity | 0.7143 | NPC469312 |
Intermediate Similarity | 0.7143 | NPC41318 |
Intermediate Similarity | 0.7137 | NPC475648 |
Intermediate Similarity | 0.713 | NPC35208 |
Intermediate Similarity | 0.713 | NPC327769 |
Intermediate Similarity | 0.7129 | NPC88008 |
Intermediate Similarity | 0.7129 | NPC473178 |
Intermediate Similarity | 0.7129 | NPC244741 |
Intermediate Similarity | 0.7128 | NPC213468 |
Intermediate Similarity | 0.7128 | NPC472443 |
Intermediate Similarity | 0.7123 | NPC87856 |
Intermediate Similarity | 0.7123 | NPC318299 |
Intermediate Similarity | 0.7123 | NPC151976 |
Intermediate Similarity | 0.7116 | NPC82070 |
Intermediate Similarity | 0.7113 | NPC84347 |
Intermediate Similarity | 0.711 | NPC76565 |
Intermediate Similarity | 0.7107 | NPC472108 |
Intermediate Similarity | 0.7107 | NPC139291 |
Intermediate Similarity | 0.7107 | NPC472444 |
Intermediate Similarity | 0.7107 | NPC19679 |
Intermediate Similarity | 0.7103 | NPC132211 |
Intermediate Similarity | 0.7101 | NPC328318 |
Intermediate Similarity | 0.7101 | NPC328596 |
Intermediate Similarity | 0.71 | NPC321708 |
Intermediate Similarity | 0.71 | NPC183805 |
Intermediate Similarity | 0.7097 | NPC2395 |
Intermediate Similarity | 0.7094 | NPC57994 |
Intermediate Similarity | 0.7094 | NPC289299 |
Intermediate Similarity | 0.7092 | NPC271792 |
Intermediate Similarity | 0.7091 | NPC228377 |
Intermediate Similarity | 0.7091 | NPC122968 |
Intermediate Similarity | 0.7091 | NPC328186 |
Intermediate Similarity | 0.7091 | NPC477787 |
Intermediate Similarity | 0.7091 | NPC124029 |
Intermediate Similarity | 0.7089 | NPC234078 |
Intermediate Similarity | 0.7089 | NPC267965 |
Intermediate Similarity | 0.7089 | NPC221100 |
Molecular Weight   | 557.25 |
ALogP   | -1.4844 |
MLogP   | 4.21 |
XLogP   | 8.128 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 19 |
TPSA   | 118.11 |
RO5 Violation   | 2 |