Drug ID:   | NPD9532 |
Drug Name:   | Carisbamate |
Molecular Formula:   | C9H10ClNO3 |
Canonical SMILES:   | OC(=N)OC[C@H](c1ccccc1Cl)O |
Standard InCHI:   | InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1 |
Standard InCHIKey:   | OLBWFRRUHYQABZ-MRVPVSSYSA-N |
Max Developmental Stage:   | Phase 3 |
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 | 0.7576 | NPC117180 |
Intermediate Similarity | 0.75 | NPC329319 |
Intermediate Similarity | 0.75 | NPC99394 |
Intermediate Similarity | 0.75 | NPC87299 |
Intermediate Similarity | 0.75 | NPC103326 |
Intermediate Similarity | 0.7475 | NPC309279 |
Intermediate Similarity | 0.7353 | NPC304538 |
Intermediate Similarity | 0.7315 | NPC20142 |
Intermediate Similarity | 0.7315 | NPC215351 |
Intermediate Similarity | 0.7308 | NPC211237 |
Intermediate Similarity | 0.7217 | NPC475465 |
Intermediate Similarity | 0.7217 | NPC472314 |
Intermediate Similarity | 0.7172 | NPC66655 |
Intermediate Similarity | 0.7168 | NPC160382 |
Intermediate Similarity | 0.7117 | NPC226096 |
Intermediate Similarity | 0.7117 | NPC210529 |
Intermediate Similarity | 0.7117 | NPC175852 |
Intermediate Similarity | 0.7117 | NPC164514 |
Intermediate Similarity | 0.7117 | NPC108606 |
Intermediate Similarity | 0.7117 | NPC160548 |
Intermediate Similarity | 0.7117 | NPC303611 |
Intermediate Similarity | 0.7117 | NPC290515 |
Intermediate Similarity | 0.7105 | NPC242913 |
Intermediate Similarity | 0.7105 | NPC171831 |
Intermediate Similarity | 0.7105 | NPC148060 |
Intermediate Similarity | 0.7105 | NPC280616 |
Intermediate Similarity | 0.7087 | NPC172984 |
Intermediate Similarity | 0.7043 | NPC472919 |
Intermediate Similarity | 0.7043 | NPC152384 |
Intermediate Similarity | 0.7043 | NPC37714 |
Intermediate Similarity | 0.7027 | NPC325499 |
Intermediate Similarity | 0.7018 | NPC82426 |
Intermediate Similarity | 0.7018 | NPC91820 |
Intermediate Similarity | 0.7009 | NPC1793 |
Intermediate Similarity | 0.7 | NPC120217 |
Remote Similarity | 0.6983 | NPC37115 |
Remote Similarity | 0.6983 | NPC136962 |
Remote Similarity | 0.6972 | NPC265521 |
Remote Similarity | 0.6964 | NPC262826 |
Remote Similarity | 0.6957 | NPC324786 |
Remote Similarity | 0.693 | NPC327226 |
Remote Similarity | 0.6923 | NPC146703 |
Remote Similarity | 0.6909 | NPC138117 |
Remote Similarity | 0.6909 | NPC325292 |
Remote Similarity | 0.6893 | NPC133050 |
Remote Similarity | 0.6887 | NPC93843 |
Remote Similarity | 0.6881 | NPC300017 |
Remote Similarity | 0.6869 | NPC108218 |
Remote Similarity | 0.6864 | NPC146096 |
Remote Similarity | 0.686 | NPC1986 |
Remote Similarity | 0.686 | NPC474544 |
Remote Similarity | 0.6838 | NPC472316 |
Remote Similarity | 0.6838 | NPC474376 |
Remote Similarity | 0.6838 | NPC472315 |
Remote Similarity | 0.6838 | NPC475203 |
Remote Similarity | 0.6833 | NPC185840 |
Remote Similarity | 0.6827 | NPC283012 |
Remote Similarity | 0.6827 | NPC475199 |
Remote Similarity | 0.6814 | NPC107619 |
Remote Similarity | 0.681 | NPC150254 |
Remote Similarity | 0.681 | NPC147000 |
Remote Similarity | 0.681 | NPC226778 |
Remote Similarity | 0.681 | NPC304761 |
Remote Similarity | 0.6807 | NPC276061 |
Remote Similarity | 0.6807 | NPC474148 |
Remote Similarity | 0.6803 | NPC157338 |
Remote Similarity | 0.6796 | NPC192623 |
Remote Similarity | 0.6792 | NPC99482 |
Remote Similarity | 0.6786 | NPC313650 |
Remote Similarity | 0.6783 | NPC154905 |
Remote Similarity | 0.6783 | NPC60373 |
Remote Similarity | 0.678 | NPC277788 |
Remote Similarity | 0.6774 | NPC266389 |
Remote Similarity | 0.6774 | NPC216605 |
Remote Similarity | 0.6774 | NPC122245 |
Remote Similarity | 0.6759 | NPC304760 |
Remote Similarity | 0.675 | NPC264784 |
Remote Similarity | 0.675 | NPC30563 |
Remote Similarity | 0.6729 | NPC474211 |
Remote Similarity | 0.6727 | NPC317645 |
Remote Similarity | 0.6724 | NPC291426 |
Remote Similarity | 0.6721 | NPC91452 |
Remote Similarity | 0.6698 | NPC168855 |
Remote Similarity | 0.6697 | NPC104216 |
Remote Similarity | 0.6697 | NPC199567 |
Remote Similarity | 0.6696 | NPC469481 |
Remote Similarity | 0.6696 | NPC214200 |
Remote Similarity | 0.6696 | NPC228400 |
Remote Similarity | 0.6694 | NPC234376 |
Remote Similarity | 0.6694 | NPC148055 |
Remote Similarity | 0.6694 | NPC158282 |
Remote Similarity | 0.6667 | NPC290566 |
Remote Similarity | 0.6667 | NPC198747 |
Remote Similarity | 0.6667 | NPC474073 |
Remote Similarity | 0.6667 | NPC47286 |
Remote Similarity | 0.6667 | NPC145638 |
Remote Similarity | 0.6667 | NPC208302 |
Remote Similarity | 0.6667 | NPC216122 |
Remote Similarity | 0.6639 | NPC265002 |
Remote Similarity | 0.6639 | NPC251306 |
Remote Similarity | 0.6638 | NPC110764 |
Remote Similarity | 0.6637 | NPC21959 |
Remote Similarity | 0.6636 | NPC474354 |
Remote Similarity | 0.6635 | NPC328178 |
Remote Similarity | 0.6613 | NPC244403 |
Remote Similarity | 0.6612 | NPC323007 |
Remote Similarity | 0.6609 | NPC51333 |
Remote Similarity | 0.6609 | NPC132078 |
Remote Similarity | 0.6609 | NPC216468 |
Remote Similarity | 0.6609 | NPC78119 |
Remote Similarity | 0.6602 | NPC224544 |
Remote Similarity | 0.6583 | NPC114741 |
Remote Similarity | 0.6583 | NPC182549 |
Remote Similarity | 0.6577 | NPC47950 |
Remote Similarity | 0.6577 | NPC472319 |
Remote Similarity | 0.6577 | NPC79917 |
Remote Similarity | 0.6577 | NPC312304 |
Remote Similarity | 0.6577 | NPC300478 |
Remote Similarity | 0.656 | NPC175771 |
Remote Similarity | 0.6552 | NPC294741 |
Remote Similarity | 0.6552 | NPC213730 |
Remote Similarity | 0.6538 | NPC475691 |
Remote Similarity | 0.6538 | NPC469894 |
Remote Similarity | 0.6538 | NPC212176 |
Remote Similarity | 0.6535 | NPC14950 |
Remote Similarity | 0.6532 | NPC313193 |
Remote Similarity | 0.6529 | NPC326187 |
Remote Similarity | 0.6525 | NPC315794 |
Remote Similarity | 0.6525 | NPC12278 |
Remote Similarity | 0.6518 | NPC128645 |
Remote Similarity | 0.6514 | NPC155393 |
Remote Similarity | 0.6509 | NPC73637 |
Remote Similarity | 0.6509 | NPC121478 |
Remote Similarity | 0.6509 | NPC106313 |
Remote Similarity | 0.6504 | NPC48525 |
Remote Similarity | 0.65 | NPC194034 |
Remote Similarity | 0.6496 | NPC7686 |
Remote Similarity | 0.6496 | NPC91461 |
Remote Similarity | 0.6496 | NPC40258 |
Remote Similarity | 0.6496 | NPC101025 |
Remote Similarity | 0.6496 | NPC471578 |
Remote Similarity | 0.6491 | NPC3371 |
Remote Similarity | 0.6484 | NPC282409 |
Remote Similarity | 0.6484 | NPC469702 |
Remote Similarity | 0.6481 | NPC58616 |
Remote Similarity | 0.648 | NPC210531 |
Remote Similarity | 0.6476 | NPC184030 |
Remote Similarity | 0.6476 | NPC164449 |
Remote Similarity | 0.6471 | NPC211551 |
Remote Similarity | 0.6471 | NPC233396 |
Remote Similarity | 0.6471 | NPC189371 |
Remote Similarity | 0.6471 | NPC154899 |
Remote Similarity | 0.6466 | NPC472318 |
Remote Similarity | 0.6466 | NPC128723 |
Remote Similarity | 0.6466 | NPC100870 |
Remote Similarity | 0.6466 | NPC131587 |
Remote Similarity | 0.6466 | NPC98911 |
Remote Similarity | 0.6457 | NPC15350 |
Remote Similarity | 0.6455 | NPC23167 |
Remote Similarity | 0.6455 | NPC407 |
Remote Similarity | 0.6455 | NPC307235 |
Remote Similarity | 0.6452 | NPC172525 |
Remote Similarity | 0.6441 | NPC469527 |
Remote Similarity | 0.6435 | NPC289201 |
Remote Similarity | 0.6434 | NPC469703 |
Remote Similarity | 0.6434 | NPC160854 |
Remote Similarity | 0.6434 | NPC469704 |
Remote Similarity | 0.6434 | NPC201402 |
Remote Similarity | 0.6434 | NPC476445 |
Remote Similarity | 0.6434 | NPC469548 |
Remote Similarity | 0.6434 | NPC476448 |
Remote Similarity | 0.6423 | NPC474314 |
Remote Similarity | 0.6422 | NPC175313 |
Remote Similarity | 0.6417 | NPC135464 |
Remote Similarity | 0.6417 | NPC92623 |
Remote Similarity | 0.6415 | NPC165212 |
Remote Similarity | 0.641 | NPC130103 |
Remote Similarity | 0.641 | NPC174911 |
Remote Similarity | 0.6404 | NPC58674 |
Remote Similarity | 0.6396 | NPC25493 |
Remote Similarity | 0.6396 | NPC27974 |
Remote Similarity | 0.6396 | NPC113460 |
Remote Similarity | 0.6393 | NPC292758 |
Remote Similarity | 0.6393 | NPC55617 |
Remote Similarity | 0.6393 | NPC473524 |
Remote Similarity | 0.6393 | NPC65855 |
Remote Similarity | 0.6393 | NPC62258 |
Remote Similarity | 0.6391 | NPC8058 |
Remote Similarity | 0.6387 | NPC249067 |
Remote Similarity | 0.6385 | NPC42644 |
Remote Similarity | 0.6385 | NPC469686 |
Remote Similarity | 0.6385 | NPC55608 |
Remote Similarity | 0.6385 | NPC266045 |
Remote Similarity | 0.6381 | NPC170484 |
Remote Similarity | 0.6379 | NPC315921 |
Remote Similarity | 0.6379 | NPC475954 |
Remote Similarity | 0.6379 | NPC109955 |
Remote Similarity | 0.6372 | NPC45040 |
Remote Similarity | 0.6364 | NPC197783 |
Remote Similarity | 0.6364 | NPC89377 |
Molecular Weight   | 215.03 |
ALogP   | 0.7144 |
MLogP   | 1.9 |
XLogP   | 2.407 |
HDA   | 4 |
HBD   | 3 |
Rotatable Bonds   | 7 |
TPSA   | 73.54 |
RO5 Violation   | 0 |