Drug ID:   | NPD467 |
Drug Name:   | Vgx-1027 |
Molecular Formula:   | C11H11NO3 |
Canonical SMILES:   | OC(=O)CC1ON=C(C1)c1ccccc1 |
Standard InCHI:   | InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14) |
Standard InCHIKey:   | MUFJHYRCIHHATF-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 |
---|---|---|
High Similarity | 0.8586 | NPC323164 |
Intermediate Similarity | 0.7826 | NPC188010 |
Intermediate Similarity | 0.7551 | NPC127343 |
Intermediate Similarity | 0.75 | NPC44830 |
Intermediate Similarity | 0.75 | NPC80150 |
Intermediate Similarity | 0.75 | NPC478015 |
Intermediate Similarity | 0.75 | NPC478014 |
Intermediate Similarity | 0.75 | NPC478016 |
Intermediate Similarity | 0.7477 | NPC19136 |
Intermediate Similarity | 0.7431 | NPC12730 |
Intermediate Similarity | 0.7429 | NPC187725 |
Intermediate Similarity | 0.7429 | NPC317645 |
Intermediate Similarity | 0.7429 | NPC141607 |
Intermediate Similarity | 0.7353 | NPC95965 |
Intermediate Similarity | 0.735 | NPC309808 |
Intermediate Similarity | 0.7333 | NPC310467 |
Intermediate Similarity | 0.7327 | NPC285773 |
Intermediate Similarity | 0.7308 | NPC325441 |
Intermediate Similarity | 0.725 | NPC169328 |
Intermediate Similarity | 0.7248 | NPC477767 |
Intermediate Similarity | 0.7232 | NPC164859 |
Intermediate Similarity | 0.7222 | NPC206764 |
Intermediate Similarity | 0.7212 | NPC322387 |
Intermediate Similarity | 0.7207 | NPC94487 |
Intermediate Similarity | 0.7182 | NPC271475 |
Intermediate Similarity | 0.717 | NPC258627 |
Intermediate Similarity | 0.7143 | NPC475978 |
Intermediate Similarity | 0.7143 | NPC329064 |
Intermediate Similarity | 0.7143 | NPC474820 |
Intermediate Similarity | 0.7105 | NPC321670 |
Intermediate Similarity | 0.7091 | NPC122493 |
Intermediate Similarity | 0.7091 | NPC293628 |
Intermediate Similarity | 0.7091 | NPC10781 |
Intermediate Similarity | 0.7091 | NPC324569 |
Intermediate Similarity | 0.7075 | NPC231591 |
Intermediate Similarity | 0.7073 | NPC190663 |
Intermediate Similarity | 0.7027 | NPC175852 |
Intermediate Similarity | 0.7027 | NPC210529 |
Intermediate Similarity | 0.7027 | NPC160548 |
Intermediate Similarity | 0.7019 | NPC294134 |
Intermediate Similarity | 0.7009 | NPC70940 |
Intermediate Similarity | 0.7009 | NPC316108 |
Intermediate Similarity | 0.7009 | NPC86670 |
Intermediate Similarity | 0.7009 | NPC274455 |
Remote Similarity | 0.699 | NPC288903 |
Remote Similarity | 0.6984 | NPC473938 |
Remote Similarity | 0.696 | NPC317474 |
Remote Similarity | 0.696 | NPC169485 |
Remote Similarity | 0.696 | NPC213126 |
Remote Similarity | 0.696 | NPC291027 |
Remote Similarity | 0.696 | NPC84281 |
Remote Similarity | 0.696 | NPC160493 |
Remote Similarity | 0.6949 | NPC319579 |
Remote Similarity | 0.6949 | NPC323007 |
Remote Similarity | 0.693 | NPC471317 |
Remote Similarity | 0.6923 | NPC114741 |
Remote Similarity | 0.6923 | NPC182549 |
Remote Similarity | 0.6917 | NPC87069 |
Remote Similarity | 0.6897 | NPC474111 |
Remote Similarity | 0.6897 | NPC329705 |
Remote Similarity | 0.6897 | NPC327481 |
Remote Similarity | 0.6891 | NPC329011 |
Remote Similarity | 0.687 | NPC275538 |
Remote Similarity | 0.6863 | NPC192623 |
Remote Similarity | 0.6852 | NPC84288 |
Remote Similarity | 0.6847 | NPC3371 |
Remote Similarity | 0.6842 | NPC474112 |
Remote Similarity | 0.6838 | NPC20485 |
Remote Similarity | 0.6833 | NPC474584 |
Remote Similarity | 0.6803 | NPC210531 |
Remote Similarity | 0.6803 | NPC197470 |
Remote Similarity | 0.68 | NPC477061 |
Remote Similarity | 0.68 | NPC45777 |
Remote Similarity | 0.6797 | NPC47667 |
Remote Similarity | 0.6789 | NPC86987 |
Remote Similarity | 0.6789 | NPC110704 |
Remote Similarity | 0.6783 | NPC160382 |
Remote Similarity | 0.6777 | NPC172525 |
Remote Similarity | 0.6774 | NPC314992 |
Remote Similarity | 0.6774 | NPC237420 |
Remote Similarity | 0.6772 | NPC35996 |
Remote Similarity | 0.6769 | NPC116057 |
Remote Similarity | 0.6759 | NPC9822 |
Remote Similarity | 0.6757 | NPC58674 |
Remote Similarity | 0.6757 | NPC172925 |
Remote Similarity | 0.6752 | NPC191215 |
Remote Similarity | 0.6752 | NPC274089 |
Remote Similarity | 0.6748 | NPC2265 |
Remote Similarity | 0.6731 | NPC121478 |
Remote Similarity | 0.6731 | NPC73637 |
Remote Similarity | 0.6731 | NPC323103 |
Remote Similarity | 0.6726 | NPC329387 |
Remote Similarity | 0.6726 | NPC317280 |
Remote Similarity | 0.6719 | NPC317758 |
Remote Similarity | 0.6699 | NPC309279 |
Remote Similarity | 0.6699 | NPC121800 |
Remote Similarity | 0.6698 | NPC475710 |
Remote Similarity | 0.6696 | NPC318154 |
Remote Similarity | 0.6694 | NPC273814 |
Remote Similarity | 0.6667 | NPC477704 |
Remote Similarity | 0.6667 | NPC67043 |
Remote Similarity | 0.6667 | NPC270507 |
Remote Similarity | 0.6667 | NPC477693 |
Remote Similarity | 0.6667 | NPC4974 |
Remote Similarity | 0.6642 | NPC477680 |
Remote Similarity | 0.6641 | NPC472413 |
Remote Similarity | 0.6637 | NPC270654 |
Remote Similarity | 0.6637 | NPC289201 |
Remote Similarity | 0.661 | NPC25385 |
Remote Similarity | 0.661 | NPC475905 |
Remote Similarity | 0.661 | NPC193640 |
Remote Similarity | 0.6609 | NPC158623 |
Remote Similarity | 0.6609 | NPC225079 |
Remote Similarity | 0.6609 | NPC264728 |
Remote Similarity | 0.6602 | NPC170484 |
Remote Similarity | 0.6591 | NPC69496 |
Remote Similarity | 0.6579 | NPC322598 |
Remote Similarity | 0.6577 | NPC265521 |
Remote Similarity | 0.6574 | NPC471638 |
Remote Similarity | 0.6571 | NPC103387 |
Remote Similarity | 0.6567 | NPC328070 |
Remote Similarity | 0.6566 | NPC208302 |
Remote Similarity | 0.6566 | NPC155429 |
Remote Similarity | 0.6557 | NPC287055 |
Remote Similarity | 0.6557 | NPC206414 |
Remote Similarity | 0.6557 | NPC306977 |
Remote Similarity | 0.6557 | NPC242957 |
Remote Similarity | 0.6552 | NPC25458 |
Remote Similarity | 0.6549 | NPC261947 |
Remote Similarity | 0.6542 | NPC99482 |
Remote Similarity | 0.6541 | NPC183722 |
Remote Similarity | 0.6538 | NPC184030 |
Remote Similarity | 0.6538 | NPC164449 |
Remote Similarity | 0.6532 | NPC235421 |
Remote Similarity | 0.6525 | NPC474307 |
Remote Similarity | 0.6522 | NPC245561 |
Remote Similarity | 0.6522 | NPC217621 |
Remote Similarity | 0.6522 | NPC54647 |
Remote Similarity | 0.6512 | NPC472415 |
Remote Similarity | 0.6508 | NPC104514 |
Remote Similarity | 0.65 | NPC271437 |
Remote Similarity | 0.65 | NPC40178 |
Remote Similarity | 0.65 | NPC317305 |
Remote Similarity | 0.6496 | NPC473055 |
Remote Similarity | 0.6496 | NPC202613 |
Remote Similarity | 0.6496 | NPC329556 |
Remote Similarity | 0.6496 | NPC473052 |
Remote Similarity | 0.6486 | NPC226438 |
Remote Similarity | 0.6471 | NPC244933 |
Remote Similarity | 0.6471 | NPC142326 |
Remote Similarity | 0.6471 | NPC94751 |
Remote Similarity | 0.6471 | NPC85560 |
Remote Similarity | 0.6466 | NPC52472 |
Remote Similarity | 0.6466 | NPC128248 |
Remote Similarity | 0.6466 | NPC469481 |
Remote Similarity | 0.6466 | NPC136810 |
Remote Similarity | 0.6466 | NPC473325 |
Remote Similarity | 0.6466 | NPC133809 |
Remote Similarity | 0.6457 | NPC319950 |
Remote Similarity | 0.6449 | NPC322526 |
Remote Similarity | 0.6449 | NPC471201 |
Remote Similarity | 0.6446 | NPC326187 |
Remote Similarity | 0.6444 | NPC245836 |
Remote Similarity | 0.6444 | NPC233910 |
Remote Similarity | 0.6441 | NPC224610 |
Remote Similarity | 0.6441 | NPC113326 |
Remote Similarity | 0.6441 | NPC88267 |
Remote Similarity | 0.6441 | NPC249067 |
Remote Similarity | 0.6441 | NPC194390 |
Remote Similarity | 0.6441 | NPC329282 |
Remote Similarity | 0.6439 | NPC199738 |
Remote Similarity | 0.6439 | NPC210950 |
Remote Similarity | 0.6436 | NPC208075 |
Remote Similarity | 0.6436 | NPC108218 |
Remote Similarity | 0.6435 | NPC229242 |
Remote Similarity | 0.6435 | NPC120393 |
Remote Similarity | 0.6423 | NPC208725 |
Remote Similarity | 0.6422 | NPC198747 |
Remote Similarity | 0.6417 | NPC47536 |
Remote Similarity | 0.6417 | NPC156648 |
Remote Similarity | 0.6412 | NPC472414 |
Remote Similarity | 0.641 | NPC304873 |
Remote Similarity | 0.6408 | NPC298023 |
Remote Similarity | 0.6406 | NPC474223 |
Remote Similarity | 0.6406 | NPC475827 |
Remote Similarity | 0.6406 | NPC476183 |
Remote Similarity | 0.6404 | NPC469893 |
Remote Similarity | 0.6404 | NPC30361 |
Remote Similarity | 0.64 | NPC74458 |
Remote Similarity | 0.64 | NPC9274 |
Remote Similarity | 0.6396 | NPC172128 |
Remote Similarity | 0.6396 | NPC62765 |
Remote Similarity | 0.6393 | NPC252544 |
Remote Similarity | 0.6393 | NPC313981 |
Remote Similarity | 0.6393 | NPC321252 |
Remote Similarity | 0.6391 | NPC296712 |
Remote Similarity | 0.6385 | NPC469927 |
Remote Similarity | 0.6385 | NPC477163 |
Remote Similarity | 0.6379 | NPC7435 |
Remote Similarity | 0.6373 | NPC189371 |
Molecular Weight   | 205.07 |
ALogP   | -0.4803 |
MLogP   | 2.23 |
XLogP   | 2.966 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 58.89 |
RO5 Violation   | 0 |