Drug ID:   | NPD478 |
Drug Name:   | |
Molecular Formula:   | C11H12N2O |
Canonical SMILES:   | O[C@@H]1CCN2C1=Nc1ccccc1C2 |
Standard InCHI:   | InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m1/s1 |
Standard InCHIKey:   | YIICVSCAKJMMDJ-SNVBAGLBSA-N |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
High Similarity | 1.0 | NPC283130 |
High Similarity | 1.0 | NPC328683 |
High Similarity | 0.873 | NPC226662 |
High Similarity | 0.8696 | NPC164802 |
Intermediate Similarity | 0.8456 | NPC324445 |
Intermediate Similarity | 0.763 | NPC207428 |
Intermediate Similarity | 0.748 | NPC288232 |
Intermediate Similarity | 0.7206 | NPC476950 |
Intermediate Similarity | 0.7155 | NPC78154 |
Intermediate Similarity | 0.7039 | NPC94167 |
Intermediate Similarity | 0.7039 | NPC172937 |
Remote Similarity | 0.6972 | NPC300299 |
Remote Similarity | 0.6948 | NPC154478 |
Remote Similarity | 0.6923 | NPC296163 |
Remote Similarity | 0.6901 | NPC184437 |
Remote Similarity | 0.6897 | NPC207554 |
Remote Similarity | 0.6875 | NPC122553 |
Remote Similarity | 0.6818 | NPC84317 |
Remote Similarity | 0.68 | NPC178681 |
Remote Similarity | 0.6797 | NPC471132 |
Remote Similarity | 0.6794 | NPC314141 |
Remote Similarity | 0.6794 | NPC187036 |
Remote Similarity | 0.6786 | NPC197680 |
Remote Similarity | 0.6786 | NPC259098 |
Remote Similarity | 0.6781 | NPC243162 |
Remote Similarity | 0.6761 | NPC476685 |
Remote Similarity | 0.6761 | NPC476687 |
Remote Similarity | 0.6761 | NPC476689 |
Remote Similarity | 0.6742 | NPC205652 |
Remote Similarity | 0.6733 | NPC472100 |
Remote Similarity | 0.673 | NPC300631 |
Remote Similarity | 0.6716 | NPC192209 |
Remote Similarity | 0.6714 | NPC478079 |
Remote Similarity | 0.6711 | NPC472103 |
Remote Similarity | 0.6709 | NPC138293 |
Remote Similarity | 0.6709 | NPC113056 |
Remote Similarity | 0.6667 | NPC474082 |
Remote Similarity | 0.6667 | NPC175726 |
Remote Similarity | 0.6645 | NPC321617 |
Remote Similarity | 0.6593 | NPC313449 |
Remote Similarity | 0.6571 | NPC325013 |
Remote Similarity | 0.6556 | NPC470824 |
Remote Similarity | 0.6552 | NPC15839 |
Remote Similarity | 0.6544 | NPC264580 |
Remote Similarity | 0.6524 | NPC475594 |
Remote Similarity | 0.651 | NPC186284 |
Remote Similarity | 0.651 | NPC470301 |
Remote Similarity | 0.651 | NPC2823 |
Remote Similarity | 0.651 | NPC471574 |
Remote Similarity | 0.651 | NPC22082 |
Remote Similarity | 0.6504 | NPC108339 |
Remote Similarity | 0.6493 | NPC470550 |
Remote Similarity | 0.6486 | NPC83214 |
Remote Similarity | 0.6485 | NPC475607 |
Remote Similarity | 0.6457 | NPC291610 |
Remote Similarity | 0.6456 | NPC104345 |
Remote Similarity | 0.6449 | NPC317564 |
Remote Similarity | 0.6449 | NPC326232 |
Remote Similarity | 0.6446 | NPC474081 |
Remote Similarity | 0.6444 | NPC101139 |
Remote Similarity | 0.6438 | NPC476231 |
Remote Similarity | 0.6438 | NPC88970 |
Remote Similarity | 0.6433 | NPC470507 |
Remote Similarity | 0.6414 | NPC325479 |
Remote Similarity | 0.6407 | NPC474041 |
Remote Similarity | 0.6407 | NPC475761 |
Remote Similarity | 0.6406 | NPC474430 |
Remote Similarity | 0.64 | NPC472258 |
Remote Similarity | 0.6397 | NPC147957 |
Remote Similarity | 0.6393 | NPC226438 |
Remote Similarity | 0.6392 | NPC477156 |
Remote Similarity | 0.6392 | NPC477157 |
Remote Similarity | 0.6382 | NPC136002 |
Remote Similarity | 0.6379 | NPC307456 |
Remote Similarity | 0.6376 | NPC125746 |
Remote Similarity | 0.6375 | NPC68650 |
Remote Similarity | 0.6369 | NPC295021 |
Remote Similarity | 0.6369 | NPC475685 |
Remote Similarity | 0.6358 | NPC471130 |
Remote Similarity | 0.634 | NPC116519 |
Remote Similarity | 0.6336 | NPC37584 |
Remote Similarity | 0.6327 | NPC313352 |
Remote Similarity | 0.632 | NPC471320 |
Remote Similarity | 0.632 | NPC471319 |
Remote Similarity | 0.6306 | NPC469975 |
Remote Similarity | 0.6303 | NPC470498 |
Remote Similarity | 0.6299 | NPC264589 |
Remote Similarity | 0.629 | NPC476483 |
Remote Similarity | 0.6289 | NPC141353 |
Remote Similarity | 0.6282 | NPC37548 |
Remote Similarity | 0.6277 | NPC285926 |
Remote Similarity | 0.6277 | NPC315276 |
Remote Similarity | 0.6277 | NPC14672 |
Remote Similarity | 0.6264 | NPC471196 |
Remote Similarity | 0.6264 | NPC471195 |
Remote Similarity | 0.6259 | NPC291962 |
Remote Similarity | 0.6259 | NPC177684 |
Remote Similarity | 0.625 | NPC477155 |
Remote Similarity | 0.625 | NPC238499 |
Remote Similarity | 0.625 | NPC326575 |
Remote Similarity | 0.6243 | NPC473815 |
Remote Similarity | 0.6241 | NPC252878 |
Remote Similarity | 0.624 | NPC303045 |
Remote Similarity | 0.624 | NPC161972 |
Remote Similarity | 0.6235 | NPC472117 |
Remote Similarity | 0.6231 | NPC113326 |
Remote Similarity | 0.6231 | NPC88267 |
Remote Similarity | 0.6231 | NPC224610 |
Remote Similarity | 0.6231 | NPC194390 |
Remote Similarity | 0.6228 | NPC189812 |
Remote Similarity | 0.6228 | NPC329688 |
Remote Similarity | 0.6226 | NPC471458 |
Remote Similarity | 0.622 | NPC49217 |
Remote Similarity | 0.622 | NPC54988 |
Remote Similarity | 0.6214 | NPC258531 |
Remote Similarity | 0.6214 | NPC112373 |
Remote Similarity | 0.6214 | NPC161956 |
Remote Similarity | 0.6213 | NPC133261 |
Remote Similarity | 0.6205 | NPC158129 |
Remote Similarity | 0.6197 | NPC46427 |
Remote Similarity | 0.619 | NPC22079 |
Remote Similarity | 0.6184 | NPC104483 |
Remote Similarity | 0.6181 | NPC250476 |
Remote Similarity | 0.6178 | NPC187951 |
Remote Similarity | 0.6173 | NPC477158 |
Remote Similarity | 0.617 | NPC257490 |
Remote Similarity | 0.6169 | NPC311330 |
Remote Similarity | 0.6168 | NPC34508 |
Remote Similarity | 0.6165 | NPC302790 |
Remote Similarity | 0.6164 | NPC9856 |
Remote Similarity | 0.616 | NPC7067 |
Remote Similarity | 0.616 | NPC469330 |
Remote Similarity | 0.6154 | NPC68354 |
Remote Similarity | 0.6154 | NPC212799 |
Remote Similarity | 0.6154 | NPC254798 |
Remote Similarity | 0.6149 | NPC256893 |
Remote Similarity | 0.6142 | NPC311242 |
Remote Similarity | 0.6131 | NPC275305 |
Remote Similarity | 0.6131 | NPC37423 |
Remote Similarity | 0.6129 | NPC242556 |
Remote Similarity | 0.6125 | NPC38736 |
Remote Similarity | 0.6119 | NPC470127 |
Remote Similarity | 0.6107 | NPC469974 |
Remote Similarity | 0.6104 | NPC277157 |
Remote Similarity | 0.6099 | NPC476990 |
Remote Similarity | 0.6099 | NPC316582 |
Remote Similarity | 0.6098 | NPC470877 |
Remote Similarity | 0.6095 | NPC472122 |
Remote Similarity | 0.6095 | NPC24594 |
Remote Similarity | 0.609 | NPC314372 |
Remote Similarity | 0.6087 | NPC469785 |
Remote Similarity | 0.6087 | NPC285469 |
Remote Similarity | 0.6081 | NPC53044 |
Remote Similarity | 0.6074 | NPC473320 |
Remote Similarity | 0.6074 | NPC472102 |
Remote Similarity | 0.6074 | NPC279918 |
Remote Similarity | 0.6074 | NPC309531 |
Remote Similarity | 0.6069 | NPC470003 |
Remote Similarity | 0.6066 | NPC262295 |
Remote Similarity | 0.6065 | NPC190296 |
Remote Similarity | 0.6062 | NPC281094 |
Remote Similarity | 0.6061 | NPC143516 |
Remote Similarity | 0.6056 | NPC202521 |
Remote Similarity | 0.6056 | NPC475915 |
Remote Similarity | 0.6054 | NPC187231 |
Remote Similarity | 0.6054 | NPC314431 |
Remote Similarity | 0.6051 | NPC143872 |
Remote Similarity | 0.6049 | NPC153694 |
Remote Similarity | 0.6049 | NPC211525 |
Remote Similarity | 0.6049 | NPC469762 |
Remote Similarity | 0.6048 | NPC121872 |
Remote Similarity | 0.6048 | NPC471307 |
Remote Similarity | 0.6048 | NPC209764 |
Remote Similarity | 0.6048 | NPC78041 |
Remote Similarity | 0.6048 | NPC159178 |
Remote Similarity | 0.6048 | NPC74936 |
Remote Similarity | 0.6048 | NPC141139 |
Remote Similarity | 0.6045 | NPC473676 |
Remote Similarity | 0.6043 | NPC313673 |
Remote Similarity | 0.6038 | NPC475763 |
Remote Similarity | 0.6038 | NPC154602 |
Remote Similarity | 0.6037 | NPC472101 |
Remote Similarity | 0.6037 | NPC472120 |
Remote Similarity | 0.6037 | NPC472121 |
Remote Similarity | 0.6037 | NPC282231 |
Remote Similarity | 0.6032 | NPC322040 |
Remote Similarity | 0.6026 | NPC198988 |
Remote Similarity | 0.6026 | NPC159589 |
Remote Similarity | 0.6023 | NPC270009 |
Remote Similarity | 0.6023 | NPC176199 |
Remote Similarity | 0.6023 | NPC215795 |
Remote Similarity | 0.6015 | NPC474804 |
Remote Similarity | 0.6015 | NPC474973 |
Remote Similarity | 0.6015 | NPC130898 |
Remote Similarity | 0.6014 | NPC265605 |
Remote Similarity | 0.6014 | NPC182570 |
Remote Similarity | 0.6014 | NPC33742 |
Remote Similarity | 0.6014 | NPC48564 |
Remote Similarity | 0.6013 | NPC130251 |
Remote Similarity | 0.6012 | NPC148468 |
TTD   | DNAP001595 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 442929 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 188.09 |
ALogP   | -1.3588 |
MLogP   | 2.34 |
XLogP   | 2.268 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 35.83 |
RO5 Violation   | 0 |