Drug ID:   | NPD3648 |
Drug Name:   | |
Molecular Formula:   | C19H27NO4S |
Canonical SMILES:   | OC[C@@](c1ccccc1)(C(=O)O[C@H]1CN2CCC1CC2)CC[S@@](=O)C |
Standard InCHI:   | InChI=1S/C19H27NO4S/c1-25(23)12-9-19(14-21,16-5-3-2-4-6-16)18(22)24-17-13-20-10-7-15(17)8-11-20/h2-6,15,17,21H,7-14H2,1H3/t17-,19-,25-/m0/s1 |
Standard InCHIKey:   | VGXACJMXDYPFDB-KMEZTADASA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.8 | NPC84281 |
Intermediate Similarity | 0.8 | NPC213126 |
Intermediate Similarity | 0.8 | NPC291027 |
Intermediate Similarity | 0.8 | NPC317474 |
Intermediate Similarity | 0.8 | NPC169485 |
Intermediate Similarity | 0.7986 | NPC69496 |
Intermediate Similarity | 0.7943 | NPC233910 |
Intermediate Similarity | 0.7943 | NPC245836 |
Intermediate Similarity | 0.7692 | NPC158854 |
Intermediate Similarity | 0.7448 | NPC313663 |
Intermediate Similarity | 0.7447 | NPC474847 |
Intermediate Similarity | 0.7134 | NPC286551 |
Intermediate Similarity | 0.7092 | NPC80150 |
Intermediate Similarity | 0.7034 | NPC65310 |
Remote Similarity | 0.6987 | NPC105717 |
Remote Similarity | 0.6853 | NPC478015 |
Remote Similarity | 0.6853 | NPC478014 |
Remote Similarity | 0.6853 | NPC190663 |
Remote Similarity | 0.6853 | NPC478016 |
Remote Similarity | 0.6853 | NPC302169 |
Remote Similarity | 0.6831 | NPC310467 |
Remote Similarity | 0.6815 | NPC145113 |
Remote Similarity | 0.6797 | NPC281104 |
Remote Similarity | 0.6781 | NPC285394 |
Remote Similarity | 0.6774 | NPC161069 |
Remote Similarity | 0.6761 | NPC169328 |
Remote Similarity | 0.6759 | NPC160493 |
Remote Similarity | 0.6753 | NPC239762 |
Remote Similarity | 0.6753 | NPC163392 |
Remote Similarity | 0.6732 | NPC478140 |
Remote Similarity | 0.6711 | NPC103605 |
Remote Similarity | 0.6711 | NPC81092 |
Remote Similarity | 0.6646 | NPC162104 |
Remote Similarity | 0.6644 | NPC152850 |
Remote Similarity | 0.6644 | NPC105114 |
Remote Similarity | 0.6644 | NPC89923 |
Remote Similarity | 0.6644 | NPC239990 |
Remote Similarity | 0.6644 | NPC71933 |
Remote Similarity | 0.6621 | NPC477061 |
Remote Similarity | 0.6621 | NPC45777 |
Remote Similarity | 0.662 | NPC188010 |
Remote Similarity | 0.6604 | NPC138775 |
Remote Similarity | 0.6582 | NPC322878 |
Remote Similarity | 0.6582 | NPC5620 |
Remote Similarity | 0.6581 | NPC477557 |
Remote Similarity | 0.6577 | NPC136453 |
Remote Similarity | 0.657 | NPC317362 |
Remote Similarity | 0.657 | NPC318930 |
Remote Similarity | 0.6561 | NPC57976 |
Remote Similarity | 0.6547 | NPC65855 |
Remote Similarity | 0.6547 | NPC292758 |
Remote Similarity | 0.6544 | NPC19136 |
Remote Similarity | 0.6538 | NPC268841 |
Remote Similarity | 0.6538 | NPC46098 |
Remote Similarity | 0.6538 | NPC307357 |
Remote Similarity | 0.6531 | NPC26285 |
Remote Similarity | 0.6519 | NPC476978 |
Remote Similarity | 0.6519 | NPC471516 |
Remote Similarity | 0.6516 | NPC127741 |
Remote Similarity | 0.6513 | NPC157311 |
Remote Similarity | 0.651 | NPC47667 |
Remote Similarity | 0.6507 | NPC475827 |
Remote Similarity | 0.6507 | NPC474223 |
Remote Similarity | 0.65 | NPC329761 |
Remote Similarity | 0.65 | NPC225648 |
Remote Similarity | 0.6479 | NPC172525 |
Remote Similarity | 0.6478 | NPC471680 |
Remote Similarity | 0.6474 | NPC326407 |
Remote Similarity | 0.6474 | NPC317725 |
Remote Similarity | 0.6471 | NPC8761 |
Remote Similarity | 0.6471 | NPC44805 |
Remote Similarity | 0.6466 | NPC477767 |
Remote Similarity | 0.6464 | NPC477526 |
Remote Similarity | 0.6456 | NPC176226 |
Remote Similarity | 0.6449 | NPC94751 |
Remote Similarity | 0.6449 | NPC142326 |
Remote Similarity | 0.6437 | NPC476441 |
Remote Similarity | 0.6433 | NPC476259 |
Remote Similarity | 0.6429 | NPC73644 |
Remote Similarity | 0.642 | NPC94602 |
Remote Similarity | 0.642 | NPC283783 |
Remote Similarity | 0.642 | NPC129666 |
Remote Similarity | 0.6418 | NPC271475 |
Remote Similarity | 0.6418 | NPC322598 |
Remote Similarity | 0.6402 | NPC473341 |
Remote Similarity | 0.64 | NPC4974 |
Remote Similarity | 0.64 | NPC317163 |
Remote Similarity | 0.6398 | NPC135121 |
Remote Similarity | 0.6395 | NPC474222 |
Remote Similarity | 0.6395 | NPC475804 |
Remote Similarity | 0.6392 | NPC269398 |
Remote Similarity | 0.6392 | NPC263493 |
Remote Similarity | 0.6391 | NPC471051 |
Remote Similarity | 0.6391 | NPC471052 |
Remote Similarity | 0.6391 | NPC471053 |
Remote Similarity | 0.6377 | NPC476198 |
Remote Similarity | 0.6376 | NPC474254 |
Remote Similarity | 0.6376 | NPC474159 |
Remote Similarity | 0.637 | NPC237420 |
Remote Similarity | 0.6364 | NPC246913 |
Remote Similarity | 0.6364 | NPC246079 |
Remote Similarity | 0.6352 | NPC139326 |
Remote Similarity | 0.6346 | NPC118099 |
Remote Similarity | 0.6346 | NPC9687 |
Remote Similarity | 0.6346 | NPC474855 |
Remote Similarity | 0.6346 | NPC476102 |
Remote Similarity | 0.6346 | NPC90194 |
Remote Similarity | 0.6346 | NPC76785 |
Remote Similarity | 0.6346 | NPC475598 |
Remote Similarity | 0.6346 | NPC273907 |
Remote Similarity | 0.6346 | NPC260045 |
Remote Similarity | 0.6346 | NPC151706 |
Remote Similarity | 0.6346 | NPC474811 |
Remote Similarity | 0.6346 | NPC293377 |
Remote Similarity | 0.6346 | NPC475318 |
Remote Similarity | 0.6346 | NPC474787 |
Remote Similarity | 0.6346 | NPC49577 |
Remote Similarity | 0.6346 | NPC79465 |
Remote Similarity | 0.6331 | NPC329705 |
Remote Similarity | 0.6331 | NPC474111 |
Remote Similarity | 0.6322 | NPC476425 |
Remote Similarity | 0.6319 | NPC2501 |
Remote Similarity | 0.6306 | NPC68865 |
Remote Similarity | 0.6303 | NPC122590 |
Remote Similarity | 0.6298 | NPC4910 |
Remote Similarity | 0.6292 | NPC309692 |
Remote Similarity | 0.6286 | NPC20485 |
Remote Similarity | 0.6279 | NPC322387 |
Remote Similarity | 0.6275 | NPC213969 |
Remote Similarity | 0.6275 | NPC40488 |
Remote Similarity | 0.6275 | NPC472413 |
Remote Similarity | 0.6275 | NPC116057 |
Remote Similarity | 0.6275 | NPC469666 |
Remote Similarity | 0.6275 | NPC165726 |
Remote Similarity | 0.6273 | NPC209509 |
Remote Similarity | 0.6273 | NPC477217 |
Remote Similarity | 0.6273 | NPC201244 |
Remote Similarity | 0.6272 | NPC471527 |
Remote Similarity | 0.6267 | NPC35996 |
Remote Similarity | 0.626 | NPC86670 |
Remote Similarity | 0.626 | NPC70940 |
Remote Similarity | 0.626 | NPC274455 |
Remote Similarity | 0.6259 | NPC321670 |
Remote Similarity | 0.6259 | NPC471186 |
Remote Similarity | 0.6259 | NPC67043 |
Remote Similarity | 0.6257 | NPC477527 |
Remote Similarity | 0.6257 | NPC477159 |
Remote Similarity | 0.625 | NPC197682 |
Remote Similarity | 0.625 | NPC29285 |
Remote Similarity | 0.625 | NPC275576 |
Remote Similarity | 0.6242 | NPC314192 |
Remote Similarity | 0.6233 | NPC212891 |
Remote Similarity | 0.623 | NPC469437 |
Remote Similarity | 0.6229 | NPC306804 |
Remote Similarity | 0.6229 | NPC137627 |
Remote Similarity | 0.6225 | NPC138798 |
Remote Similarity | 0.6225 | NPC307020 |
Remote Similarity | 0.6212 | NPC141607 |
Remote Similarity | 0.6212 | NPC187725 |
Remote Similarity | 0.6211 | NPC475128 |
Remote Similarity | 0.6209 | NPC472706 |
Remote Similarity | 0.6209 | NPC169913 |
Remote Similarity | 0.6209 | NPC329731 |
Remote Similarity | 0.6209 | NPC199738 |
Remote Similarity | 0.6209 | NPC319766 |
Remote Similarity | 0.6209 | NPC210950 |
Remote Similarity | 0.6204 | NPC228400 |
Remote Similarity | 0.6204 | NPC214200 |
Remote Similarity | 0.6203 | NPC208725 |
Remote Similarity | 0.6203 | NPC471265 |
Remote Similarity | 0.6203 | NPC471264 |
Remote Similarity | 0.6201 | NPC476428 |
Remote Similarity | 0.6199 | NPC476750 |
Remote Similarity | 0.6196 | NPC328824 |
Remote Similarity | 0.6196 | NPC260194 |
Remote Similarity | 0.6194 | NPC183722 |
Remote Similarity | 0.6193 | NPC155506 |
Remote Similarity | 0.6193 | NPC279871 |
Remote Similarity | 0.6193 | NPC476227 |
Remote Similarity | 0.6193 | NPC159767 |
Remote Similarity | 0.619 | NPC473297 |
Remote Similarity | 0.619 | NPC45794 |
Remote Similarity | 0.619 | NPC254088 |
Remote Similarity | 0.6188 | NPC469427 |
Remote Similarity | 0.6188 | NPC239770 |
Remote Similarity | 0.6188 | NPC150712 |
Remote Similarity | 0.6188 | NPC469426 |
Remote Similarity | 0.6188 | NPC168113 |
Remote Similarity | 0.6185 | NPC294516 |
Remote Similarity | 0.6185 | NPC107938 |
Remote Similarity | 0.6184 | NPC477249 |
Remote Similarity | 0.6184 | NPC477248 |
Remote Similarity | 0.6184 | NPC472414 |
Remote Similarity | 0.6183 | NPC9822 |
Remote Similarity | 0.6181 | NPC477475 |
Remote Similarity | 0.6181 | NPC477476 |
Remote Similarity | 0.6181 | NPC273814 |
Remote Similarity | 0.6178 | NPC477680 |
Remote Similarity | 0.6178 | NPC64897 |
Remote Similarity | 0.6178 | NPC90693 |
Molecular Weight   | 365.17 |
ALogP   | -1.9458 |
MLogP   | 2.89 |
XLogP   | 2.123 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 86.05 |
RO5 Violation   | 0 |