Drug ID:   | NPD752 |
Drug Name:   | Primidone |
Molecular Formula:   | C12H14N2O2 |
Canonical SMILES:   | CCC1(c2ccccc2)C(=NCN=C1O)O |
Standard InCHI:   | InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) |
Standard InCHIKey:   | DQMZLTXERSFNPB-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.828 | NPC172128 |
Intermediate Similarity | 0.8191 | NPC226438 |
Intermediate Similarity | 0.8125 | NPC161972 |
Intermediate Similarity | 0.8125 | NPC303045 |
Intermediate Similarity | 0.7978 | NPC192623 |
Intermediate Similarity | 0.7957 | NPC198747 |
Intermediate Similarity | 0.7895 | NPC258627 |
Intermediate Similarity | 0.7778 | NPC311242 |
Intermediate Similarity | 0.7684 | NPC325441 |
Intermediate Similarity | 0.7614 | NPC189371 |
Intermediate Similarity | 0.7604 | NPC470877 |
Intermediate Similarity | 0.76 | NPC33168 |
Intermediate Similarity | 0.7579 | NPC471638 |
Intermediate Similarity | 0.7576 | NPC58674 |
Intermediate Similarity | 0.7556 | NPC224544 |
Intermediate Similarity | 0.7551 | NPC265521 |
Intermediate Similarity | 0.7526 | NPC209764 |
Intermediate Similarity | 0.7526 | NPC141139 |
Intermediate Similarity | 0.7526 | NPC316108 |
Intermediate Similarity | 0.7526 | NPC471307 |
Intermediate Similarity | 0.7526 | NPC78041 |
Intermediate Similarity | 0.7526 | NPC159178 |
Intermediate Similarity | 0.7526 | NPC74936 |
Intermediate Similarity | 0.7526 | NPC121872 |
Intermediate Similarity | 0.75 | NPC25565 |
Intermediate Similarity | 0.7476 | NPC318154 |
Intermediate Similarity | 0.7426 | NPC475439 |
Intermediate Similarity | 0.7426 | NPC473501 |
Intermediate Similarity | 0.7327 | NPC3371 |
Intermediate Similarity | 0.7312 | NPC133050 |
Intermediate Similarity | 0.7303 | NPC108218 |
Intermediate Similarity | 0.73 | NPC471309 |
Intermediate Similarity | 0.7273 | NPC245259 |
Intermediate Similarity | 0.7207 | NPC474544 |
Intermediate Similarity | 0.7207 | NPC1986 |
Intermediate Similarity | 0.7204 | NPC328178 |
Intermediate Similarity | 0.7158 | NPC146703 |
Intermediate Similarity | 0.7143 | NPC118202 |
Intermediate Similarity | 0.7143 | NPC12429 |
Intermediate Similarity | 0.7143 | NPC205652 |
Intermediate Similarity | 0.7113 | NPC474211 |
Intermediate Similarity | 0.7103 | NPC211551 |
Intermediate Similarity | 0.7083 | NPC168855 |
Intermediate Similarity | 0.7079 | NPC208302 |
Intermediate Similarity | 0.7053 | NPC14326 |
Intermediate Similarity | 0.7053 | NPC73637 |
Intermediate Similarity | 0.7053 | NPC121478 |
Intermediate Similarity | 0.7041 | NPC322387 |
Intermediate Similarity | 0.7021 | NPC309279 |
Intermediate Similarity | 0.701 | NPC474354 |
Intermediate Similarity | 0.701 | NPC3210 |
Intermediate Similarity | 0.7009 | NPC194390 |
Intermediate Similarity | 0.7009 | NPC113326 |
Intermediate Similarity | 0.7009 | NPC224610 |
Intermediate Similarity | 0.7009 | NPC88267 |
Remote Similarity | 0.6979 | NPC477770 |
Remote Similarity | 0.6979 | NPC172984 |
Remote Similarity | 0.697 | NPC262393 |
Remote Similarity | 0.6952 | NPC12730 |
Remote Similarity | 0.6939 | NPC93843 |
Remote Similarity | 0.6939 | NPC243166 |
Remote Similarity | 0.6937 | NPC474149 |
Remote Similarity | 0.6931 | NPC79917 |
Remote Similarity | 0.6916 | NPC178902 |
Remote Similarity | 0.6916 | NPC471317 |
Remote Similarity | 0.6909 | NPC153690 |
Remote Similarity | 0.6907 | NPC304538 |
Remote Similarity | 0.6907 | NPC95429 |
Remote Similarity | 0.69 | NPC1793 |
Remote Similarity | 0.6887 | NPC469457 |
Remote Similarity | 0.6881 | NPC327481 |
Remote Similarity | 0.6881 | NPC231705 |
Remote Similarity | 0.6875 | NPC87299 |
Remote Similarity | 0.6875 | NPC103326 |
Remote Similarity | 0.6875 | NPC329319 |
Remote Similarity | 0.6875 | NPC99394 |
Remote Similarity | 0.687 | NPC82963 |
Remote Similarity | 0.6863 | NPC323164 |
Remote Similarity | 0.6863 | NPC306074 |
Remote Similarity | 0.6857 | NPC107619 |
Remote Similarity | 0.6847 | NPC258056 |
Remote Similarity | 0.6842 | NPC33742 |
Remote Similarity | 0.6842 | NPC164449 |
Remote Similarity | 0.6842 | NPC184030 |
Remote Similarity | 0.6837 | NPC99482 |
Remote Similarity | 0.6832 | NPC274455 |
Remote Similarity | 0.6832 | NPC70940 |
Remote Similarity | 0.6832 | NPC86670 |
Remote Similarity | 0.681 | NPC311737 |
Remote Similarity | 0.681 | NPC38458 |
Remote Similarity | 0.6807 | NPC109151 |
Remote Similarity | 0.6804 | NPC285773 |
Remote Similarity | 0.68 | NPC329064 |
Remote Similarity | 0.6796 | NPC55903 |
Remote Similarity | 0.6792 | NPC92730 |
Remote Similarity | 0.6777 | NPC325013 |
Remote Similarity | 0.6771 | NPC117180 |
Remote Similarity | 0.6768 | NPC203076 |
Remote Similarity | 0.6765 | NPC220596 |
Remote Similarity | 0.6759 | NPC202613 |
Remote Similarity | 0.6759 | NPC164859 |
Remote Similarity | 0.6759 | NPC471310 |
Remote Similarity | 0.6744 | NPC29680 |
Remote Similarity | 0.6737 | NPC170484 |
Remote Similarity | 0.6733 | NPC199567 |
Remote Similarity | 0.6731 | NPC27323 |
Remote Similarity | 0.6731 | NPC152415 |
Remote Similarity | 0.6731 | NPC316301 |
Remote Similarity | 0.6731 | NPC289769 |
Remote Similarity | 0.6702 | NPC66655 |
Remote Similarity | 0.67 | NPC211237 |
Remote Similarity | 0.67 | NPC473031 |
Remote Similarity | 0.6699 | NPC155908 |
Remote Similarity | 0.6698 | NPC225464 |
Remote Similarity | 0.6696 | NPC470550 |
Remote Similarity | 0.6667 | NPC142297 |
Remote Similarity | 0.6667 | NPC127343 |
Remote Similarity | 0.6667 | NPC121800 |
Remote Similarity | 0.6639 | NPC472414 |
Remote Similarity | 0.6639 | NPC474926 |
Remote Similarity | 0.6638 | NPC235421 |
Remote Similarity | 0.6638 | NPC317254 |
Remote Similarity | 0.6637 | NPC319579 |
Remote Similarity | 0.6633 | NPC44830 |
Remote Similarity | 0.6612 | NPC472415 |
Remote Similarity | 0.6607 | NPC24101 |
Remote Similarity | 0.6607 | NPC96224 |
Remote Similarity | 0.6606 | NPC19856 |
Remote Similarity | 0.6606 | NPC178681 |
Remote Similarity | 0.6602 | NPC86987 |
Remote Similarity | 0.6583 | NPC273830 |
Remote Similarity | 0.6579 | NPC227553 |
Remote Similarity | 0.6577 | NPC274089 |
Remote Similarity | 0.6577 | NPC191215 |
Remote Similarity | 0.6574 | NPC214200 |
Remote Similarity | 0.6574 | NPC289117 |
Remote Similarity | 0.6574 | NPC228400 |
Remote Similarity | 0.6571 | NPC20142 |
Remote Similarity | 0.6571 | NPC215351 |
Remote Similarity | 0.6571 | NPC172925 |
Remote Similarity | 0.6549 | NPC65855 |
Remote Similarity | 0.6549 | NPC292758 |
Remote Similarity | 0.6549 | NPC158854 |
Remote Similarity | 0.6542 | NPC315921 |
Remote Similarity | 0.6542 | NPC303611 |
Remote Similarity | 0.6542 | NPC226096 |
Remote Similarity | 0.6542 | NPC164514 |
Remote Similarity | 0.6542 | NPC290515 |
Remote Similarity | 0.6542 | NPC108606 |
Remote Similarity | 0.6538 | NPC314690 |
Remote Similarity | 0.6538 | NPC128645 |
Remote Similarity | 0.6538 | NPC45040 |
Remote Similarity | 0.6538 | NPC304541 |
Remote Similarity | 0.6531 | NPC475199 |
Remote Similarity | 0.6531 | NPC283012 |
Remote Similarity | 0.6531 | NPC323103 |
Remote Similarity | 0.6531 | NPC103387 |
Remote Similarity | 0.6522 | NPC155429 |
Remote Similarity | 0.6522 | NPC474584 |
Remote Similarity | 0.6517 | NPC178527 |
Remote Similarity | 0.6514 | NPC327226 |
Remote Similarity | 0.6509 | NPC222146 |
Remote Similarity | 0.6509 | NPC26244 |
Remote Similarity | 0.6509 | NPC144682 |
Remote Similarity | 0.6505 | NPC242240 |
Remote Similarity | 0.6505 | NPC318325 |
Remote Similarity | 0.6505 | NPC123273 |
Remote Similarity | 0.6505 | NPC258219 |
Remote Similarity | 0.6496 | NPC188010 |
Remote Similarity | 0.6486 | NPC471186 |
Remote Similarity | 0.6481 | NPC299762 |
Remote Similarity | 0.6481 | NPC122005 |
Remote Similarity | 0.6481 | NPC33675 |
Remote Similarity | 0.6481 | NPC252821 |
Remote Similarity | 0.648 | NPC71271 |
Remote Similarity | 0.6476 | NPC271440 |
Remote Similarity | 0.6471 | NPC310467 |
Remote Similarity | 0.6471 | NPC407 |
Remote Similarity | 0.6471 | NPC307235 |
Remote Similarity | 0.6471 | NPC23167 |
Remote Similarity | 0.6466 | NPC35850 |
Remote Similarity | 0.6466 | NPC276949 |
Remote Similarity | 0.6465 | NPC288903 |
Remote Similarity | 0.6465 | NPC270507 |
Remote Similarity | 0.6452 | NPC244738 |
Remote Similarity | 0.6449 | NPC324602 |
Remote Similarity | 0.6449 | NPC473388 |
Remote Similarity | 0.6441 | NPC470544 |
Remote Similarity | 0.6441 | NPC147957 |
Remote Similarity | 0.6437 | NPC135924 |
Remote Similarity | 0.6435 | NPC163674 |
Remote Similarity | 0.6435 | NPC329011 |
Remote Similarity | 0.6429 | NPC94751 |
Remote Similarity | 0.6429 | NPC130898 |
Remote Similarity | 0.6429 | NPC474804 |
Remote Similarity | 0.6429 | NPC474973 |
Remote Similarity | 0.6429 | NPC142326 |
Remote Similarity | 0.6422 | NPC136810 |
Remote Similarity | 0.6422 | NPC133809 |
Remote Similarity | 0.6422 | NPC225079 |
Molecular Weight   | 218.11 |
ALogP   | -1.2566 |
MLogP   | 2.34 |
XLogP   | 3.518 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 65.18 |
RO5 Violation   | 0 |