Drug ID:   | NPD2373 |
Drug Name:   | |
Molecular Formula:   | C17H16ClN3O |
Canonical SMILES:   | CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl |
Standard InCHI:   | InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3 |
Standard InCHIKey:   | MNHXYNNKDDXKNP-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.7692 | NPC32002 |
Intermediate Similarity | 0.7692 | NPC315348 |
Intermediate Similarity | 0.7633 | NPC116961 |
Intermediate Similarity | 0.7018 | NPC477591 |
Intermediate Similarity | 0.7 | NPC476464 |
Intermediate Similarity | 0.7 | NPC81561 |
Intermediate Similarity | 0.7 | NPC325599 |
Remote Similarity | 0.6994 | NPC238499 |
Remote Similarity | 0.6961 | NPC471609 |
Remote Similarity | 0.6933 | NPC104483 |
Remote Similarity | 0.6933 | NPC148140 |
Remote Similarity | 0.6928 | NPC470440 |
Remote Similarity | 0.6918 | NPC101165 |
Remote Similarity | 0.6914 | NPC314102 |
Remote Similarity | 0.6914 | NPC251722 |
Remote Similarity | 0.6914 | NPC471312 |
Remote Similarity | 0.691 | NPC317054 |
Remote Similarity | 0.6909 | NPC20144 |
Remote Similarity | 0.6842 | NPC162689 |
Remote Similarity | 0.6842 | NPC54102 |
Remote Similarity | 0.6842 | NPC476219 |
Remote Similarity | 0.6826 | NPC204141 |
Remote Similarity | 0.68 | NPC478182 |
Remote Similarity | 0.6795 | NPC122718 |
Remote Similarity | 0.6786 | NPC478186 |
Remote Similarity | 0.6753 | NPC215519 |
Remote Similarity | 0.6744 | NPC476297 |
Remote Similarity | 0.6739 | NPC21429 |
Remote Similarity | 0.6739 | NPC285923 |
Remote Similarity | 0.6727 | NPC316811 |
Remote Similarity | 0.6711 | NPC476566 |
Remote Similarity | 0.6708 | NPC256893 |
Remote Similarity | 0.6708 | NPC471322 |
Remote Similarity | 0.6707 | NPC125746 |
Remote Similarity | 0.6687 | NPC198988 |
Remote Similarity | 0.6687 | NPC59084 |
Remote Similarity | 0.6687 | NPC2949 |
Remote Similarity | 0.6686 | NPC281094 |
Remote Similarity | 0.6667 | NPC16659 |
Remote Similarity | 0.6667 | NPC141612 |
Remote Similarity | 0.6667 | NPC471402 |
Remote Similarity | 0.6667 | NPC17273 |
Remote Similarity | 0.6667 | NPC135601 |
Remote Similarity | 0.6667 | NPC297486 |
Remote Similarity | 0.6667 | NPC240136 |
Remote Similarity | 0.6648 | NPC194881 |
Remote Similarity | 0.6647 | NPC473868 |
Remote Similarity | 0.6647 | NPC120070 |
Remote Similarity | 0.6647 | NPC277157 |
Remote Similarity | 0.6647 | NPC63157 |
Remote Similarity | 0.6646 | NPC22079 |
Remote Similarity | 0.6629 | NPC293487 |
Remote Similarity | 0.6627 | NPC88097 |
Remote Similarity | 0.6624 | NPC290094 |
Remote Similarity | 0.6624 | NPC46358 |
Remote Similarity | 0.6623 | NPC91958 |
Remote Similarity | 0.6615 | NPC471617 |
Remote Similarity | 0.6612 | NPC265710 |
Remote Similarity | 0.6582 | NPC476322 |
Remote Similarity | 0.6579 | NPC288232 |
Remote Similarity | 0.6573 | NPC2165 |
Remote Similarity | 0.6573 | NPC195507 |
Remote Similarity | 0.6557 | NPC28848 |
Remote Similarity | 0.6557 | NPC14325 |
Remote Similarity | 0.655 | NPC114209 |
Remote Similarity | 0.655 | NPC21605 |
Remote Similarity | 0.6548 | NPC476454 |
Remote Similarity | 0.6545 | NPC325252 |
Remote Similarity | 0.6543 | NPC69914 |
Remote Similarity | 0.6536 | NPC478183 |
Remote Similarity | 0.6529 | NPC469525 |
Remote Similarity | 0.6522 | NPC89490 |
Remote Similarity | 0.6517 | NPC478184 |
Remote Similarity | 0.6514 | NPC51054 |
Remote Similarity | 0.6506 | NPC150259 |
Remote Similarity | 0.6506 | NPC65408 |
Remote Similarity | 0.65 | NPC202957 |
Remote Similarity | 0.65 | NPC169625 |
Remote Similarity | 0.6497 | NPC182570 |
Remote Similarity | 0.6497 | NPC48564 |
Remote Similarity | 0.6497 | NPC265605 |
Remote Similarity | 0.6494 | NPC200214 |
Remote Similarity | 0.6491 | NPC143872 |
Remote Similarity | 0.6486 | NPC314919 |
Remote Similarity | 0.6484 | NPC161861 |
Remote Similarity | 0.6481 | NPC329896 |
Remote Similarity | 0.6481 | NPC475105 |
Remote Similarity | 0.6481 | NPC475090 |
Remote Similarity | 0.6481 | NPC476131 |
Remote Similarity | 0.6474 | NPC33421 |
Remote Similarity | 0.6474 | NPC40070 |
Remote Similarity | 0.6467 | NPC240088 |
Remote Similarity | 0.6467 | NPC473380 |
Remote Similarity | 0.6464 | NPC91895 |
Remote Similarity | 0.6461 | NPC225018 |
Remote Similarity | 0.6461 | NPC470203 |
Remote Similarity | 0.6461 | NPC478185 |
Remote Similarity | 0.646 | NPC278451 |
Remote Similarity | 0.6441 | NPC6436 |
Remote Similarity | 0.6441 | NPC475990 |
Remote Similarity | 0.6437 | NPC117032 |
Remote Similarity | 0.6437 | NPC470233 |
Remote Similarity | 0.6429 | NPC476688 |
Remote Similarity | 0.6429 | NPC476686 |
Remote Similarity | 0.6429 | NPC105758 |
Remote Similarity | 0.6425 | NPC271797 |
Remote Similarity | 0.6425 | NPC21174 |
Remote Similarity | 0.6416 | NPC37548 |
Remote Similarity | 0.641 | NPC143603 |
Remote Similarity | 0.6409 | NPC278874 |
Remote Similarity | 0.6404 | NPC470204 |
Remote Similarity | 0.6404 | NPC122141 |
Remote Similarity | 0.6404 | NPC255229 |
Remote Similarity | 0.6404 | NPC81229 |
Remote Similarity | 0.6398 | NPC476140 |
Remote Similarity | 0.6393 | NPC208060 |
Remote Similarity | 0.6387 | NPC192209 |
Remote Similarity | 0.6384 | NPC129721 |
Remote Similarity | 0.6384 | NPC477887 |
Remote Similarity | 0.6383 | NPC470003 |
Remote Similarity | 0.6374 | NPC242556 |
Remote Similarity | 0.6374 | NPC32534 |
Remote Similarity | 0.6374 | NPC65080 |
Remote Similarity | 0.6369 | NPC169433 |
Remote Similarity | 0.6358 | NPC471313 |
Remote Similarity | 0.6358 | NPC470111 |
Remote Similarity | 0.6358 | NPC471311 |
Remote Similarity | 0.6354 | NPC49217 |
Remote Similarity | 0.6352 | NPC329825 |
Remote Similarity | 0.6349 | NPC476341 |
Remote Similarity | 0.6345 | NPC213774 |
Remote Similarity | 0.6341 | NPC282398 |
Remote Similarity | 0.634 | NPC314141 |
Remote Similarity | 0.634 | NPC187036 |
Remote Similarity | 0.6335 | NPC166424 |
Remote Similarity | 0.6335 | NPC245244 |
Remote Similarity | 0.6335 | NPC146373 |
Remote Similarity | 0.6333 | NPC247987 |
Remote Similarity | 0.6331 | NPC73767 |
Remote Similarity | 0.6323 | NPC84268 |
Remote Similarity | 0.6322 | NPC187951 |
Remote Similarity | 0.6318 | NPC243850 |
Remote Similarity | 0.6316 | NPC311858 |
Remote Similarity | 0.6316 | NPC27802 |
Remote Similarity | 0.6313 | NPC469308 |
Remote Similarity | 0.6303 | NPC475450 |
Remote Similarity | 0.6294 | NPC469761 |
Remote Similarity | 0.6294 | NPC469767 |
Remote Similarity | 0.6294 | NPC469768 |
Remote Similarity | 0.6294 | NPC469784 |
Remote Similarity | 0.6294 | NPC469783 |
Remote Similarity | 0.6294 | NPC469780 |
Remote Similarity | 0.6294 | NPC115611 |
Remote Similarity | 0.6294 | NPC469779 |
Remote Similarity | 0.6292 | NPC299594 |
Remote Similarity | 0.6282 | NPC313449 |
Remote Similarity | 0.6277 | NPC477891 |
Remote Similarity | 0.6271 | NPC470507 |
Remote Similarity | 0.6271 | NPC38736 |
Remote Similarity | 0.6266 | NPC317564 |
Remote Similarity | 0.6264 | NPC56233 |
Remote Similarity | 0.6264 | NPC477974 |
Remote Similarity | 0.6257 | NPC221786 |
Remote Similarity | 0.6257 | NPC469766 |
Remote Similarity | 0.6257 | NPC318065 |
Remote Similarity | 0.6257 | NPC56765 |
Remote Similarity | 0.6257 | NPC206819 |
Remote Similarity | 0.6257 | NPC12649 |
Remote Similarity | 0.6257 | NPC248462 |
Remote Similarity | 0.6257 | NPC474880 |
Remote Similarity | 0.625 | NPC469975 |
Remote Similarity | 0.625 | NPC41174 |
Remote Similarity | 0.625 | NPC218268 |
Remote Similarity | 0.6243 | NPC133306 |
Remote Similarity | 0.6243 | NPC86288 |
Remote Similarity | 0.6243 | NPC314372 |
Remote Similarity | 0.6237 | NPC314058 |
Remote Similarity | 0.6237 | NPC316359 |
Remote Similarity | 0.6237 | NPC316018 |
Remote Similarity | 0.6237 | NPC315617 |
Remote Similarity | 0.6237 | NPC288785 |
Remote Similarity | 0.6236 | NPC285469 |
Remote Similarity | 0.6235 | NPC110126 |
Remote Similarity | 0.6234 | NPC296163 |
Remote Similarity | 0.6229 | NPC124005 |
Remote Similarity | 0.6228 | NPC300299 |
Remote Similarity | 0.6223 | NPC91179 |
Remote Similarity | 0.6222 | NPC229173 |
Remote Similarity | 0.6221 | NPC190296 |
Remote Similarity | 0.6215 | NPC232798 |
Remote Similarity | 0.6213 | NPC84911 |
Remote Similarity | 0.6207 | NPC71238 |
Remote Similarity | 0.6203 | NPC326575 |
Remote Similarity | 0.6196 | NPC164664 |
Remote Similarity | 0.6196 | NPC194411 |
Remote Similarity | 0.6196 | NPC250361 |
Remote Similarity | 0.6193 | NPC105818 |
Remote Similarity | 0.6193 | NPC24678 |
Remote Similarity | 0.619 | NPC144114 |
Remote Similarity | 0.6188 | NPC224632 |
Molecular Weight   | 313.10 |
ALogP   | -0.0079 |
MLogP   | 2.78 |
XLogP   | 4.202 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 45.56 |
RO5 Violation   | 0 |