Drug ID:   | NPD2039 |
Drug Name:   | Nomifensine |
Molecular Formula:   | C16H18N2 |
Canonical SMILES:   | CN1CC(c2ccccc2)c2c(C1)c(N)ccc2 |
Standard InCHI:   | InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 |
Standard InCHIKey:   | XXPANQJNYNUNES-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 | 0.8462 | NPC475915 |
Intermediate Similarity | 0.8411 | NPC291610 |
Intermediate Similarity | 0.8198 | NPC79618 |
Intermediate Similarity | 0.8173 | NPC108800 |
Intermediate Similarity | 0.8077 | NPC470926 |
Intermediate Similarity | 0.8019 | NPC329430 |
Intermediate Similarity | 0.7899 | NPC264580 |
Intermediate Similarity | 0.7876 | NPC434 |
Intermediate Similarity | 0.7823 | NPC252794 |
Intermediate Similarity | 0.7812 | NPC313352 |
Intermediate Similarity | 0.7807 | NPC302790 |
Intermediate Similarity | 0.7748 | NPC239854 |
Intermediate Similarity | 0.7667 | NPC313449 |
Intermediate Similarity | 0.7642 | NPC191444 |
Intermediate Similarity | 0.7547 | NPC176858 |
Intermediate Similarity | 0.7521 | NPC192209 |
Intermediate Similarity | 0.7479 | NPC187036 |
Intermediate Similarity | 0.7476 | NPC104070 |
Intermediate Similarity | 0.7429 | NPC258046 |
Intermediate Similarity | 0.7358 | NPC262295 |
Intermediate Similarity | 0.7344 | NPC145754 |
Intermediate Similarity | 0.7344 | NPC478079 |
Intermediate Similarity | 0.7295 | NPC313673 |
Intermediate Similarity | 0.729 | NPC111233 |
Intermediate Similarity | 0.729 | NPC30445 |
Intermediate Similarity | 0.7238 | NPC169016 |
Intermediate Similarity | 0.7234 | NPC33421 |
Intermediate Similarity | 0.7214 | NPC109787 |
Intermediate Similarity | 0.7213 | NPC288232 |
Intermediate Similarity | 0.7194 | NPC264589 |
Intermediate Similarity | 0.719 | NPC296163 |
Intermediate Similarity | 0.7132 | NPC130251 |
Intermediate Similarity | 0.7117 | NPC322040 |
Intermediate Similarity | 0.7105 | NPC323726 |
Intermediate Similarity | 0.7094 | NPC474695 |
Intermediate Similarity | 0.7064 | NPC173991 |
Intermediate Similarity | 0.7059 | NPC164802 |
Intermediate Similarity | 0.7029 | NPC59084 |
Remote Similarity | 0.6993 | NPC206592 |
Remote Similarity | 0.6981 | NPC119677 |
Remote Similarity | 0.6978 | NPC473868 |
Remote Similarity | 0.6978 | NPC63157 |
Remote Similarity | 0.697 | NPC473417 |
Remote Similarity | 0.695 | NPC469735 |
Remote Similarity | 0.6939 | NPC56765 |
Remote Similarity | 0.6916 | NPC133162 |
Remote Similarity | 0.6901 | NPC469740 |
Remote Similarity | 0.6894 | NPC328590 |
Remote Similarity | 0.6884 | NPC243162 |
Remote Similarity | 0.6866 | NPC282398 |
Remote Similarity | 0.6853 | NPC21605 |
Remote Similarity | 0.6852 | NPC229477 |
Remote Similarity | 0.6835 | NPC186284 |
Remote Similarity | 0.6835 | NPC22082 |
Remote Similarity | 0.6835 | NPC301760 |
Remote Similarity | 0.6822 | NPC268534 |
Remote Similarity | 0.6812 | NPC314102 |
Remote Similarity | 0.6812 | NPC251722 |
Remote Similarity | 0.6796 | NPC271642 |
Remote Similarity | 0.6788 | NPC471123 |
Remote Similarity | 0.6788 | NPC198988 |
Remote Similarity | 0.6786 | NPC2949 |
Remote Similarity | 0.6772 | NPC320656 |
Remote Similarity | 0.6759 | NPC475763 |
Remote Similarity | 0.6744 | NPC257490 |
Remote Similarity | 0.6738 | NPC469537 |
Remote Similarity | 0.6733 | NPC469741 |
Remote Similarity | 0.6719 | NPC226143 |
Remote Similarity | 0.6716 | NPC9856 |
Remote Similarity | 0.6714 | NPC88097 |
Remote Similarity | 0.6711 | NPC318065 |
Remote Similarity | 0.6711 | NPC206819 |
Remote Similarity | 0.6699 | NPC98976 |
Remote Similarity | 0.6696 | NPC78154 |
Remote Similarity | 0.6692 | NPC476950 |
Remote Similarity | 0.6667 | NPC134825 |
Remote Similarity | 0.6667 | NPC12857 |
Remote Similarity | 0.6644 | NPC286427 |
Remote Similarity | 0.6643 | NPC169433 |
Remote Similarity | 0.6643 | NPC116519 |
Remote Similarity | 0.6641 | NPC81561 |
Remote Similarity | 0.664 | NPC314141 |
Remote Similarity | 0.6623 | NPC99632 |
Remote Similarity | 0.6623 | NPC282339 |
Remote Similarity | 0.6621 | NPC477134 |
Remote Similarity | 0.6619 | NPC325252 |
Remote Similarity | 0.6618 | NPC53044 |
Remote Similarity | 0.661 | NPC474582 |
Remote Similarity | 0.66 | NPC41257 |
Remote Similarity | 0.66 | NPC6436 |
Remote Similarity | 0.6591 | NPC192533 |
Remote Similarity | 0.6589 | NPC54102 |
Remote Similarity | 0.6589 | NPC291962 |
Remote Similarity | 0.6589 | NPC162689 |
Remote Similarity | 0.6589 | NPC177684 |
Remote Similarity | 0.6579 | NPC90723 |
Remote Similarity | 0.6577 | NPC60408 |
Remote Similarity | 0.6573 | NPC311330 |
Remote Similarity | 0.6571 | NPC98269 |
Remote Similarity | 0.6571 | NPC325662 |
Remote Similarity | 0.6562 | NPC148140 |
Remote Similarity | 0.6556 | NPC215584 |
Remote Similarity | 0.6556 | NPC44773 |
Remote Similarity | 0.6541 | NPC122718 |
Remote Similarity | 0.6538 | NPC179605 |
Remote Similarity | 0.6538 | NPC161956 |
Remote Similarity | 0.6538 | NPC112373 |
Remote Similarity | 0.6538 | NPC279385 |
Remote Similarity | 0.6538 | NPC258531 |
Remote Similarity | 0.6533 | NPC222029 |
Remote Similarity | 0.651 | NPC476219 |
Remote Similarity | 0.65 | NPC474430 |
Remote Similarity | 0.6496 | NPC22079 |
Remote Similarity | 0.649 | NPC475990 |
Remote Similarity | 0.649 | NPC193410 |
Remote Similarity | 0.649 | NPC474880 |
Remote Similarity | 0.649 | NPC36495 |
Remote Similarity | 0.649 | NPC221786 |
Remote Similarity | 0.6489 | NPC103292 |
Remote Similarity | 0.6489 | NPC314192 |
Remote Similarity | 0.6481 | NPC231986 |
Remote Similarity | 0.6479 | NPC312092 |
Remote Similarity | 0.6479 | NPC104483 |
Remote Similarity | 0.6476 | NPC139658 |
Remote Similarity | 0.6467 | NPC51054 |
Remote Similarity | 0.6463 | NPC318086 |
Remote Similarity | 0.6458 | NPC472103 |
Remote Similarity | 0.6458 | NPC20144 |
Remote Similarity | 0.6457 | NPC205652 |
Remote Similarity | 0.6454 | NPC469560 |
Remote Similarity | 0.6449 | NPC475450 |
Remote Similarity | 0.6447 | NPC248117 |
Remote Similarity | 0.6447 | NPC229173 |
Remote Similarity | 0.6434 | NPC115611 |
Remote Similarity | 0.6419 | NPC243756 |
Remote Similarity | 0.6419 | NPC66936 |
Remote Similarity | 0.6419 | NPC154602 |
Remote Similarity | 0.641 | NPC194411 |
Remote Similarity | 0.64 | NPC476297 |
Remote Similarity | 0.6392 | NPC475097 |
Remote Similarity | 0.6385 | NPC228515 |
Remote Similarity | 0.6382 | NPC276085 |
Remote Similarity | 0.6381 | NPC301874 |
Remote Similarity | 0.6379 | NPC469330 |
Remote Similarity | 0.6377 | NPC476687 |
Remote Similarity | 0.6377 | NPC476685 |
Remote Similarity | 0.6377 | NPC475428 |
Remote Similarity | 0.6377 | NPC476689 |
Remote Similarity | 0.6376 | NPC470233 |
Remote Similarity | 0.637 | NPC470440 |
Remote Similarity | 0.6364 | NPC215519 |
Remote Similarity | 0.6364 | NPC110126 |
Remote Similarity | 0.6364 | NPC73767 |
Remote Similarity | 0.6358 | NPC36836 |
Remote Similarity | 0.6358 | NPC63370 |
Remote Similarity | 0.6357 | NPC300299 |
Remote Similarity | 0.6351 | NPC473329 |
Remote Similarity | 0.634 | NPC225319 |
Remote Similarity | 0.6328 | NPC470550 |
Remote Similarity | 0.6325 | NPC108339 |
Remote Similarity | 0.6324 | NPC250361 |
Remote Similarity | 0.6323 | NPC475420 |
Remote Similarity | 0.6319 | NPC469767 |
Remote Similarity | 0.6319 | NPC469761 |
Remote Similarity | 0.6319 | NPC469779 |
Remote Similarity | 0.6319 | NPC469784 |
Remote Similarity | 0.6319 | NPC469780 |
Remote Similarity | 0.6319 | NPC469768 |
Remote Similarity | 0.6319 | NPC469783 |
Remote Similarity | 0.6316 | NPC61013 |
Remote Similarity | 0.6312 | NPC325599 |
Remote Similarity | 0.6311 | NPC271732 |
Remote Similarity | 0.6311 | NPC328877 |
Remote Similarity | 0.6309 | NPC40070 |
Remote Similarity | 0.6309 | NPC53947 |
Remote Similarity | 0.6304 | NPC473587 |
Remote Similarity | 0.6291 | NPC473297 |
Remote Similarity | 0.629 | NPC172170 |
Remote Similarity | 0.6289 | NPC37423 |
Remote Similarity | 0.6289 | NPC275305 |
Remote Similarity | 0.6288 | NPC316582 |
Remote Similarity | 0.6286 | NPC473930 |
Remote Similarity | 0.6286 | NPC112609 |
Remote Similarity | 0.6286 | NPC316104 |
Remote Similarity | 0.6286 | NPC162417 |
Remote Similarity | 0.6286 | NPC122327 |
Remote Similarity | 0.6286 | NPC113000 |
Remote Similarity | 0.6277 | NPC209389 |
Remote Similarity | 0.6276 | NPC469766 |
Remote Similarity | 0.6271 | NPC471320 |
Remote Similarity | 0.6271 | NPC471319 |
Remote Similarity | 0.6269 | NPC328683 |
Remote Similarity | 0.6269 | NPC283130 |
Remote Similarity | 0.6268 | NPC218268 |
Remote Similarity | 0.6267 | NPC117032 |
Remote Similarity | 0.6266 | NPC201634 |
Remote Similarity | 0.6262 | NPC290638 |
Remote Similarity | 0.626 | NPC473418 |
Remote Similarity | 0.6259 | NPC472100 |
Remote Similarity | 0.6259 | NPC204141 |
Molecular Weight   | 238.15 |
ALogP   | -0.6455 |
MLogP   | 3 |
XLogP   | 4.56 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 29.26 |
RO5 Violation   | 0 |