Drug ID:   | NPD4114 |
Drug Name:   | Trimipramine Maleate |
Molecular Formula:   | C20H26N2.C4H4O4 |
Canonical SMILES:   | CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C.OC(=O)/C=CC(=O)O |
Standard InCHI:   | InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
Standard InCHIKey:   | YDGHCKHAXOUQOS-BTJKTKAUSA-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 |
---|---|---|
High Similarity | 0.8738 | NPC291610 |
Intermediate Similarity | 0.8087 | NPC192209 |
Intermediate Similarity | 0.8053 | NPC187036 |
Intermediate Similarity | 0.7931 | NPC313449 |
Intermediate Similarity | 0.7845 | NPC313673 |
Intermediate Similarity | 0.7815 | NPC475915 |
Intermediate Similarity | 0.7768 | NPC302790 |
Intermediate Similarity | 0.7759 | NPC288232 |
Intermediate Similarity | 0.7739 | NPC296163 |
Intermediate Similarity | 0.7679 | NPC79618 |
Intermediate Similarity | 0.75 | NPC252794 |
Intermediate Similarity | 0.744 | NPC145754 |
Intermediate Similarity | 0.744 | NPC476950 |
Intermediate Similarity | 0.7417 | NPC264580 |
Intermediate Similarity | 0.7368 | NPC434 |
Intermediate Similarity | 0.7358 | NPC470926 |
Intermediate Similarity | 0.7355 | NPC226143 |
Intermediate Similarity | 0.7313 | NPC473868 |
Intermediate Similarity | 0.7313 | NPC63157 |
Intermediate Similarity | 0.7304 | NPC164802 |
Intermediate Similarity | 0.7282 | NPC229477 |
Intermediate Similarity | 0.7264 | NPC191444 |
Intermediate Similarity | 0.7236 | NPC257490 |
Intermediate Similarity | 0.7213 | NPC177684 |
Intermediate Similarity | 0.7213 | NPC291962 |
Intermediate Similarity | 0.7188 | NPC9856 |
Intermediate Similarity | 0.717 | NPC176858 |
Intermediate Similarity | 0.7154 | NPC161956 |
Intermediate Similarity | 0.7154 | NPC258531 |
Intermediate Similarity | 0.7154 | NPC112373 |
Intermediate Similarity | 0.7143 | NPC262295 |
Intermediate Similarity | 0.7131 | NPC81561 |
Intermediate Similarity | 0.713 | NPC108800 |
Intermediate Similarity | 0.7075 | NPC111233 |
Intermediate Similarity | 0.7071 | NPC271642 |
Intermediate Similarity | 0.7054 | NPC473417 |
Intermediate Similarity | 0.705 | NPC21605 |
Intermediate Similarity | 0.7049 | NPC148140 |
Intermediate Similarity | 0.7019 | NPC169016 |
Intermediate Similarity | 0.7015 | NPC314102 |
Intermediate Similarity | 0.7015 | NPC251722 |
Remote Similarity | 0.6992 | NPC228515 |
Remote Similarity | 0.6992 | NPC325599 |
Remote Similarity | 0.6985 | NPC59084 |
Remote Similarity | 0.697 | NPC98976 |
Remote Similarity | 0.697 | NPC313352 |
Remote Similarity | 0.6944 | NPC78154 |
Remote Similarity | 0.6935 | NPC54102 |
Remote Similarity | 0.6935 | NPC162689 |
Remote Similarity | 0.693 | NPC239854 |
Remote Similarity | 0.6923 | NPC134825 |
Remote Similarity | 0.6923 | NPC104070 |
Remote Similarity | 0.6916 | NPC30445 |
Remote Similarity | 0.6899 | NPC478079 |
Remote Similarity | 0.688 | NPC316582 |
Remote Similarity | 0.6875 | NPC122718 |
Remote Similarity | 0.6866 | NPC471123 |
Remote Similarity | 0.686 | NPC314141 |
Remote Similarity | 0.6847 | NPC329430 |
Remote Similarity | 0.6842 | NPC162417 |
Remote Similarity | 0.6842 | NPC316104 |
Remote Similarity | 0.6838 | NPC130251 |
Remote Similarity | 0.6825 | NPC215519 |
Remote Similarity | 0.6818 | NPC53044 |
Remote Similarity | 0.6809 | NPC109787 |
Remote Similarity | 0.6791 | NPC300299 |
Remote Similarity | 0.6788 | NPC186284 |
Remote Similarity | 0.6788 | NPC22082 |
Remote Similarity | 0.6788 | NPC301760 |
Remote Similarity | 0.6788 | NPC104483 |
Remote Similarity | 0.6786 | NPC469735 |
Remote Similarity | 0.6772 | NPC268534 |
Remote Similarity | 0.6765 | NPC150259 |
Remote Similarity | 0.6762 | NPC119677 |
Remote Similarity | 0.6752 | NPC474695 |
Remote Similarity | 0.6746 | NPC279385 |
Remote Similarity | 0.6746 | NPC179605 |
Remote Similarity | 0.6741 | NPC198988 |
Remote Similarity | 0.6739 | NPC2949 |
Remote Similarity | 0.6738 | NPC469740 |
Remote Similarity | 0.6731 | NPC231986 |
Remote Similarity | 0.6724 | NPC474430 |
Remote Similarity | 0.6693 | NPC103292 |
Remote Similarity | 0.6692 | NPC22079 |
Remote Similarity | 0.669 | NPC476297 |
Remote Similarity | 0.6667 | NPC46358 |
Remote Similarity | 0.6667 | NPC264589 |
Remote Similarity | 0.6643 | NPC20144 |
Remote Similarity | 0.6642 | NPC469560 |
Remote Similarity | 0.6642 | NPC475450 |
Remote Similarity | 0.6641 | NPC39818 |
Remote Similarity | 0.6618 | NPC267508 |
Remote Similarity | 0.6615 | NPC472244 |
Remote Similarity | 0.6615 | NPC470343 |
Remote Similarity | 0.6609 | NPC323726 |
Remote Similarity | 0.6602 | NPC12857 |
Remote Similarity | 0.6597 | NPC33421 |
Remote Similarity | 0.6597 | NPC40070 |
Remote Similarity | 0.6597 | NPC206592 |
Remote Similarity | 0.6593 | NPC184437 |
Remote Similarity | 0.6591 | NPC150863 |
Remote Similarity | 0.6587 | NPC297486 |
Remote Similarity | 0.6587 | NPC240136 |
Remote Similarity | 0.6587 | NPC471402 |
Remote Similarity | 0.6585 | NPC57051 |
Remote Similarity | 0.6569 | NPC325252 |
Remote Similarity | 0.6567 | NPC476687 |
Remote Similarity | 0.6567 | NPC476689 |
Remote Similarity | 0.6567 | NPC476685 |
Remote Similarity | 0.6567 | NPC475428 |
Remote Similarity | 0.6547 | NPC316811 |
Remote Similarity | 0.6547 | NPC32002 |
Remote Similarity | 0.6547 | NPC110126 |
Remote Similarity | 0.6547 | NPC88097 |
Remote Similarity | 0.6547 | NPC315348 |
Remote Similarity | 0.6547 | NPC73767 |
Remote Similarity | 0.6545 | NPC173991 |
Remote Similarity | 0.6541 | NPC314431 |
Remote Similarity | 0.6541 | NPC280807 |
Remote Similarity | 0.6541 | NPC472245 |
Remote Similarity | 0.6535 | NPC91958 |
Remote Similarity | 0.6522 | NPC83214 |
Remote Similarity | 0.6515 | NPC250361 |
Remote Similarity | 0.6512 | NPC182570 |
Remote Similarity | 0.6512 | NPC48564 |
Remote Similarity | 0.6512 | NPC265605 |
Remote Similarity | 0.6508 | NPC476566 |
Remote Similarity | 0.65 | NPC469783 |
Remote Similarity | 0.65 | NPC469761 |
Remote Similarity | 0.65 | NPC469768 |
Remote Similarity | 0.65 | NPC469784 |
Remote Similarity | 0.65 | NPC469767 |
Remote Similarity | 0.65 | NPC469779 |
Remote Similarity | 0.65 | NPC469780 |
Remote Similarity | 0.6493 | NPC473587 |
Remote Similarity | 0.6489 | NPC476322 |
Remote Similarity | 0.6484 | NPC317564 |
Remote Similarity | 0.6483 | NPC53947 |
Remote Similarity | 0.6466 | NPC75496 |
Remote Similarity | 0.6466 | NPC328590 |
Remote Similarity | 0.6466 | NPC209389 |
Remote Similarity | 0.6462 | NPC329825 |
Remote Similarity | 0.6462 | NPC283130 |
Remote Similarity | 0.6462 | NPC328683 |
Remote Similarity | 0.6462 | NPC41174 |
Remote Similarity | 0.6454 | NPC469766 |
Remote Similarity | 0.6454 | NPC469537 |
Remote Similarity | 0.6449 | NPC218268 |
Remote Similarity | 0.6439 | NPC250476 |
Remote Similarity | 0.6429 | NPC471574 |
Remote Similarity | 0.6422 | NPC258046 |
Remote Similarity | 0.6419 | NPC51054 |
Remote Similarity | 0.6418 | NPC473762 |
Remote Similarity | 0.6412 | NPC290094 |
Remote Similarity | 0.641 | NPC326792 |
Remote Similarity | 0.6408 | NPC311330 |
Remote Similarity | 0.6403 | NPC105127 |
Remote Similarity | 0.6403 | NPC84911 |
Remote Similarity | 0.6397 | NPC179365 |
Remote Similarity | 0.6391 | NPC476140 |
Remote Similarity | 0.6389 | NPC212799 |
Remote Similarity | 0.6389 | NPC133162 |
Remote Similarity | 0.6383 | NPC115611 |
Remote Similarity | 0.637 | NPC154602 |
Remote Similarity | 0.637 | NPC243756 |
Remote Similarity | 0.637 | NPC66936 |
Remote Similarity | 0.6364 | NPC20322 |
Remote Similarity | 0.6357 | NPC315051 |
Remote Similarity | 0.6357 | NPC243162 |
Remote Similarity | 0.6357 | NPC169433 |
Remote Similarity | 0.6351 | NPC476219 |
Remote Similarity | 0.635 | NPC473930 |
Remote Similarity | 0.6346 | NPC98269 |
Remote Similarity | 0.6346 | NPC329688 |
Remote Similarity | 0.6346 | NPC325662 |
Remote Similarity | 0.6346 | NPC189812 |
Remote Similarity | 0.6345 | NPC470111 |
Remote Similarity | 0.6333 | NPC206819 |
Remote Similarity | 0.6333 | NPC318065 |
Remote Similarity | 0.6333 | NPC475990 |
Remote Similarity | 0.6333 | NPC56765 |
Remote Similarity | 0.6333 | NPC474880 |
Remote Similarity | 0.6333 | NPC313362 |
Remote Similarity | 0.6333 | NPC221786 |
Remote Similarity | 0.6333 | NPC6436 |
Remote Similarity | 0.6331 | NPC261195 |
Remote Similarity | 0.6331 | NPC96102 |
Remote Similarity | 0.6331 | NPC29886 |
Remote Similarity | 0.6327 | NPC285381 |
Remote Similarity | 0.6327 | NPC122106 |
Remote Similarity | 0.6324 | NPC282398 |
Remote Similarity | 0.6324 | NPC69914 |
Remote Similarity | 0.6319 | NPC470440 |
Remote Similarity | 0.6316 | NPC322040 |
Remote Similarity | 0.6316 | NPC146373 |
Remote Similarity | 0.6316 | NPC166424 |
Remote Similarity | 0.6316 | NPC245244 |
Remote Similarity | 0.6309 | NPC29285 |
Remote Similarity | 0.6299 | NPC147957 |
Remote Similarity | 0.6296 | NPC187231 |
Molecular Weight   | 294.21 |
ALogP   | 0.5124 |
MLogP   | 3.44 |
XLogP   | 5.541 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 6.48 |
RO5 Violation   | 1 |