Drug ID:   | NPD5496 |
Drug Name:   | Elvitegravir |
Molecular Formula:   | C23H23ClFNO5 |
Canonical SMILES:   | OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C |
Standard InCHI:   | InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1 |
Standard InCHIKey:   | JUZYLCPPVHEVSV-LJQANCHMSA-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 |
---|---|---|
Intermediate Similarity | 0.7794 | NPC1820 |
Intermediate Similarity | 0.7732 | NPC299582 |
Intermediate Similarity | 0.7594 | NPC15987 |
Intermediate Similarity | 0.7585 | NPC206109 |
Intermediate Similarity | 0.7585 | NPC114039 |
Intermediate Similarity | 0.7568 | NPC329830 |
Intermediate Similarity | 0.7535 | NPC212123 |
Intermediate Similarity | 0.7535 | NPC198160 |
Intermediate Similarity | 0.7489 | NPC217903 |
Intermediate Similarity | 0.7488 | NPC234933 |
Intermediate Similarity | 0.7443 | NPC116178 |
Intermediate Similarity | 0.7431 | NPC474366 |
Intermediate Similarity | 0.7419 | NPC329567 |
Intermediate Similarity | 0.7419 | NPC330683 |
Intermediate Similarity | 0.7414 | NPC151171 |
Intermediate Similarity | 0.7409 | NPC30749 |
Intermediate Similarity | 0.7409 | NPC321166 |
Intermediate Similarity | 0.7364 | NPC305542 |
Intermediate Similarity | 0.7361 | NPC87714 |
Intermediate Similarity | 0.7361 | NPC301292 |
Intermediate Similarity | 0.7361 | NPC313112 |
Intermediate Similarity | 0.7302 | NPC232600 |
Intermediate Similarity | 0.7297 | NPC189661 |
Intermediate Similarity | 0.7269 | NPC288759 |
Intermediate Similarity | 0.7257 | NPC7560 |
Intermediate Similarity | 0.7255 | NPC127082 |
Intermediate Similarity | 0.7238 | NPC474059 |
Intermediate Similarity | 0.7237 | NPC115588 |
Intermediate Similarity | 0.7236 | NPC204867 |
Intermediate Similarity | 0.723 | NPC303214 |
Intermediate Similarity | 0.722 | NPC176113 |
Intermediate Similarity | 0.7209 | NPC241263 |
Intermediate Similarity | 0.7207 | NPC127996 |
Intermediate Similarity | 0.7184 | NPC298320 |
Intermediate Similarity | 0.7174 | NPC13249 |
Intermediate Similarity | 0.7162 | NPC295479 |
Intermediate Similarity | 0.7162 | NPC220241 |
Intermediate Similarity | 0.7156 | NPC41216 |
Intermediate Similarity | 0.715 | NPC170333 |
Intermediate Similarity | 0.7124 | NPC182853 |
Intermediate Similarity | 0.7124 | NPC134702 |
Intermediate Similarity | 0.7123 | NPC133156 |
Intermediate Similarity | 0.7123 | NPC22476 |
Intermediate Similarity | 0.7087 | NPC9475 |
Intermediate Similarity | 0.7085 | NPC218303 |
Intermediate Similarity | 0.7077 | NPC144691 |
Intermediate Similarity | 0.7067 | NPC148391 |
Intermediate Similarity | 0.7059 | NPC478075 |
Intermediate Similarity | 0.7056 | NPC285254 |
Intermediate Similarity | 0.7042 | NPC203628 |
Intermediate Similarity | 0.7031 | NPC118189 |
Intermediate Similarity | 0.7022 | NPC114468 |
Intermediate Similarity | 0.7013 | NPC122886 |
Remote Similarity | 0.6991 | NPC2905 |
Remote Similarity | 0.6977 | NPC471825 |
Remote Similarity | 0.6965 | NPC93653 |
Remote Similarity | 0.6963 | NPC28510 |
Remote Similarity | 0.6958 | NPC469722 |
Remote Similarity | 0.6957 | NPC76478 |
Remote Similarity | 0.6947 | NPC268223 |
Remote Similarity | 0.6938 | NPC85613 |
Remote Similarity | 0.6937 | NPC477161 |
Remote Similarity | 0.6927 | NPC100863 |
Remote Similarity | 0.6905 | NPC327005 |
Remote Similarity | 0.6903 | NPC119722 |
Remote Similarity | 0.69 | NPC87560 |
Remote Similarity | 0.69 | NPC195120 |
Remote Similarity | 0.6893 | NPC318183 |
Remote Similarity | 0.6892 | NPC268077 |
Remote Similarity | 0.6889 | NPC25961 |
Remote Similarity | 0.6866 | NPC264938 |
Remote Similarity | 0.6857 | NPC5167 |
Remote Similarity | 0.6828 | NPC470481 |
Remote Similarity | 0.6828 | NPC470482 |
Remote Similarity | 0.6826 | NPC77777 |
Remote Similarity | 0.6816 | NPC475147 |
Remote Similarity | 0.6808 | NPC316141 |
Remote Similarity | 0.6786 | NPC246140 |
Remote Similarity | 0.6786 | NPC195787 |
Remote Similarity | 0.6783 | NPC126556 |
Remote Similarity | 0.6779 | NPC73280 |
Remote Similarity | 0.6773 | NPC17677 |
Remote Similarity | 0.6771 | NPC207971 |
Remote Similarity | 0.6767 | NPC174760 |
Remote Similarity | 0.6767 | NPC157983 |
Remote Similarity | 0.6767 | NPC118154 |
Remote Similarity | 0.6756 | NPC308943 |
Remote Similarity | 0.6739 | NPC234772 |
Remote Similarity | 0.6726 | NPC207873 |
Remote Similarity | 0.6726 | NPC100573 |
Remote Similarity | 0.6724 | NPC222046 |
Remote Similarity | 0.6724 | NPC288110 |
Remote Similarity | 0.6709 | NPC148124 |
Remote Similarity | 0.6697 | NPC71124 |
Remote Similarity | 0.6696 | NPC475133 |
Remote Similarity | 0.6695 | NPC150239 |
Remote Similarity | 0.6667 | NPC473458 |
Remote Similarity | 0.6667 | NPC269449 |
Remote Similarity | 0.6667 | NPC99724 |
Remote Similarity | 0.6653 | NPC19175 |
Remote Similarity | 0.6639 | NPC160113 |
Remote Similarity | 0.6639 | NPC476220 |
Remote Similarity | 0.6638 | NPC87413 |
Remote Similarity | 0.6638 | NPC169402 |
Remote Similarity | 0.6637 | NPC67904 |
Remote Similarity | 0.6624 | NPC476436 |
Remote Similarity | 0.6623 | NPC298449 |
Remote Similarity | 0.6623 | NPC55470 |
Remote Similarity | 0.6621 | NPC473004 |
Remote Similarity | 0.662 | NPC283810 |
Remote Similarity | 0.662 | NPC262725 |
Remote Similarity | 0.6612 | NPC154922 |
Remote Similarity | 0.6609 | NPC10732 |
Remote Similarity | 0.6609 | NPC247803 |
Remote Similarity | 0.6607 | NPC471489 |
Remote Similarity | 0.6606 | NPC45389 |
Remote Similarity | 0.6606 | NPC5630 |
Remote Similarity | 0.6602 | NPC199737 |
Remote Similarity | 0.6598 | NPC49583 |
Remote Similarity | 0.6597 | NPC248903 |
Remote Similarity | 0.6597 | NPC470480 |
Remote Similarity | 0.6596 | NPC128476 |
Remote Similarity | 0.6579 | NPC90185 |
Remote Similarity | 0.6578 | NPC1464 |
Remote Similarity | 0.6573 | NPC474815 |
Remote Similarity | 0.6571 | NPC292265 |
Remote Similarity | 0.6571 | NPC471604 |
Remote Similarity | 0.6567 | NPC195636 |
Remote Similarity | 0.6555 | NPC26928 |
Remote Similarity | 0.6552 | NPC116238 |
Remote Similarity | 0.655 | NPC477160 |
Remote Similarity | 0.6547 | NPC132874 |
Remote Similarity | 0.6547 | NPC193906 |
Remote Similarity | 0.6547 | NPC218733 |
Remote Similarity | 0.6547 | NPC23080 |
Remote Similarity | 0.6547 | NPC138615 |
Remote Similarity | 0.6547 | NPC265642 |
Remote Similarity | 0.6544 | NPC150308 |
Remote Similarity | 0.6543 | NPC291173 |
Remote Similarity | 0.6535 | NPC222561 |
Remote Similarity | 0.6531 | NPC304837 |
Remote Similarity | 0.6531 | NPC476258 |
Remote Similarity | 0.653 | NPC469437 |
Remote Similarity | 0.6528 | NPC97584 |
Remote Similarity | 0.6527 | NPC471513 |
Remote Similarity | 0.6525 | NPC198503 |
Remote Similarity | 0.6524 | NPC3207 |
Remote Similarity | 0.6518 | NPC5374 |
Remote Similarity | 0.6516 | NPC254957 |
Remote Similarity | 0.6514 | NPC21425 |
Remote Similarity | 0.6514 | NPC473815 |
Remote Similarity | 0.6512 | NPC309692 |
Remote Similarity | 0.6512 | NPC288305 |
Remote Similarity | 0.6494 | NPC220337 |
Remote Similarity | 0.6492 | NPC329932 |
Remote Similarity | 0.6488 | NPC476429 |
Remote Similarity | 0.6486 | NPC230313 |
Remote Similarity | 0.6483 | NPC476069 |
Remote Similarity | 0.6481 | NPC470317 |
Remote Similarity | 0.6478 | NPC113455 |
Remote Similarity | 0.6478 | NPC469451 |
Remote Similarity | 0.6478 | NPC469452 |
Remote Similarity | 0.6476 | NPC317572 |
Remote Similarity | 0.6475 | NPC473187 |
Remote Similarity | 0.6473 | NPC112937 |
Remote Similarity | 0.6466 | NPC308137 |
Remote Similarity | 0.6466 | NPC310211 |
Remote Similarity | 0.6463 | NPC4687 |
Remote Similarity | 0.6463 | NPC469450 |
Remote Similarity | 0.6463 | NPC477999 |
Remote Similarity | 0.6461 | NPC473105 |
Remote Similarity | 0.6453 | NPC470002 |
Remote Similarity | 0.6453 | NPC470001 |
Remote Similarity | 0.6435 | NPC39679 |
Remote Similarity | 0.6432 | NPC194740 |
Remote Similarity | 0.6432 | NPC474077 |
Remote Similarity | 0.6422 | NPC146418 |
Remote Similarity | 0.6422 | NPC473007 |
Remote Similarity | 0.6415 | NPC112336 |
Remote Similarity | 0.6415 | NPC474814 |
Remote Similarity | 0.6414 | NPC10653 |
Remote Similarity | 0.6414 | NPC318525 |
Remote Similarity | 0.6413 | NPC243626 |
Remote Similarity | 0.6411 | NPC477395 |
Remote Similarity | 0.6405 | NPC477397 |
Remote Similarity | 0.6402 | NPC129578 |
Remote Similarity | 0.64 | NPC120239 |
Remote Similarity | 0.6398 | NPC316368 |
Remote Similarity | 0.6398 | NPC284236 |
Remote Similarity | 0.6396 | NPC226708 |
Remote Similarity | 0.6383 | NPC148183 |
Remote Similarity | 0.6383 | NPC152768 |
Remote Similarity | 0.6382 | NPC6786 |
Remote Similarity | 0.638 | NPC473569 |
Remote Similarity | 0.638 | NPC313293 |
Remote Similarity | 0.638 | NPC473008 |
Remote Similarity | 0.6378 | NPC244543 |
Remote Similarity | 0.6376 | NPC14339 |
Remote Similarity | 0.6375 | NPC21638 |
Remote Similarity | 0.6375 | NPC231924 |
TTD   | DNC000600 |
DrugBank   | DB09101 |
ChEMBL   | CHEMBL204656 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 5277135 |
ChEBI   | 72289 |
CAS Number   | 697761-98-1 |
Molecular Weight   | 447.12 |
ALogP   | 0.963 |
MLogP   | 3.11 |
XLogP   | 4.822 |
HDA   | 5 |
HBD   | 2 |
Rotatable Bonds   | 14 |
TPSA   | 87.07 |
RO5 Violation   | 0 |