Drug ID:   | NPD443 |
Drug Name:   | |
Molecular Formula:   | C11H10N2O2 |
Canonical SMILES:   | Cc1cccc(c1)Oc1cnc(nc1)O |
Standard InCHI:   | InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14) |
Standard InCHIKey:   | HJQILFPVRNHTIG-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 | 0.7249 | NPC230805 |
Intermediate Similarity | 0.7049 | NPC164664 |
Intermediate Similarity | 0.7005 | NPC30540 |
Remote Similarity | 0.6891 | NPC472289 |
Remote Similarity | 0.6776 | NPC224632 |
Remote Similarity | 0.6753 | NPC254762 |
Remote Similarity | 0.6739 | NPC118511 |
Remote Similarity | 0.6738 | NPC252590 |
Remote Similarity | 0.6728 | NPC160666 |
Remote Similarity | 0.672 | NPC278874 |
Remote Similarity | 0.67 | NPC475774 |
Remote Similarity | 0.6684 | NPC314940 |
Remote Similarity | 0.6684 | NPC473764 |
Remote Similarity | 0.6667 | NPC144114 |
Remote Similarity | 0.6651 | NPC476287 |
Remote Similarity | 0.6651 | NPC308906 |
Remote Similarity | 0.665 | NPC267928 |
Remote Similarity | 0.6649 | NPC476688 |
Remote Similarity | 0.6649 | NPC105758 |
Remote Similarity | 0.6649 | NPC476686 |
Remote Similarity | 0.6637 | NPC472068 |
Remote Similarity | 0.6635 | NPC242923 |
Remote Similarity | 0.6618 | NPC245816 |
Remote Similarity | 0.6618 | NPC476138 |
Remote Similarity | 0.66 | NPC473053 |
Remote Similarity | 0.6595 | NPC177404 |
Remote Similarity | 0.6579 | NPC472031 |
Remote Similarity | 0.6579 | NPC472066 |
Remote Similarity | 0.6579 | NPC472067 |
Remote Similarity | 0.6578 | NPC477795 |
Remote Similarity | 0.6578 | NPC477806 |
Remote Similarity | 0.6578 | NPC477805 |
Remote Similarity | 0.6578 | NPC477796 |
Remote Similarity | 0.6564 | NPC42591 |
Remote Similarity | 0.655 | NPC56271 |
Remote Similarity | 0.6538 | NPC185782 |
Remote Similarity | 0.6526 | NPC208060 |
Remote Similarity | 0.6509 | NPC8022 |
Remote Similarity | 0.6509 | NPC470799 |
Remote Similarity | 0.6507 | NPC113369 |
Remote Similarity | 0.6505 | NPC47059 |
Remote Similarity | 0.6505 | NPC274291 |
Remote Similarity | 0.6505 | NPC264166 |
Remote Similarity | 0.6505 | NPC118832 |
Remote Similarity | 0.6505 | NPC165349 |
Remote Similarity | 0.6505 | NPC329708 |
Remote Similarity | 0.6502 | NPC287437 |
Remote Similarity | 0.65 | NPC289786 |
Remote Similarity | 0.6495 | NPC470474 |
Remote Similarity | 0.6493 | NPC162530 |
Remote Similarity | 0.648 | NPC20249 |
Remote Similarity | 0.6471 | NPC19872 |
Remote Similarity | 0.6471 | NPC97367 |
Remote Similarity | 0.6452 | NPC130570 |
Remote Similarity | 0.645 | NPC195268 |
Remote Similarity | 0.645 | NPC133140 |
Remote Similarity | 0.6449 | NPC173080 |
Remote Similarity | 0.6445 | NPC26679 |
Remote Similarity | 0.6436 | NPC471178 |
Remote Similarity | 0.6418 | NPC307963 |
Remote Similarity | 0.6417 | NPC59779 |
Remote Similarity | 0.6417 | NPC124542 |
Remote Similarity | 0.6417 | NPC471177 |
Remote Similarity | 0.641 | NPC219963 |
Remote Similarity | 0.641 | NPC266551 |
Remote Similarity | 0.641 | NPC161887 |
Remote Similarity | 0.641 | NPC477891 |
Remote Similarity | 0.6402 | NPC12100 |
Remote Similarity | 0.6394 | NPC470164 |
Remote Similarity | 0.6394 | NPC323345 |
Remote Similarity | 0.6393 | NPC132631 |
Remote Similarity | 0.6393 | NPC103687 |
Remote Similarity | 0.6383 | NPC263439 |
Remote Similarity | 0.6383 | NPC473057 |
Remote Similarity | 0.638 | NPC115595 |
Remote Similarity | 0.6345 | NPC284559 |
Remote Similarity | 0.6343 | NPC250178 |
Remote Similarity | 0.6337 | NPC226202 |
Remote Similarity | 0.6333 | NPC287208 |
Remote Similarity | 0.6326 | NPC473513 |
Remote Similarity | 0.6324 | NPC224928 |
Remote Similarity | 0.6305 | NPC280638 |
Remote Similarity | 0.6302 | NPC14651 |
Remote Similarity | 0.6302 | NPC121658 |
Remote Similarity | 0.63 | NPC296527 |
Remote Similarity | 0.6279 | NPC288349 |
Remote Similarity | 0.6275 | NPC251090 |
Remote Similarity | 0.6274 | NPC290689 |
Remote Similarity | 0.6269 | NPC76748 |
Remote Similarity | 0.6267 | NPC17565 |
Remote Similarity | 0.6256 | NPC216612 |
Remote Similarity | 0.6256 | NPC476465 |
Remote Similarity | 0.6256 | NPC477111 |
Remote Similarity | 0.625 | NPC476518 |
Remote Similarity | 0.625 | NPC66083 |
Remote Similarity | 0.6238 | NPC92111 |
Remote Similarity | 0.6237 | NPC63562 |
Remote Similarity | 0.6232 | NPC176538 |
Remote Similarity | 0.6232 | NPC315957 |
Remote Similarity | 0.6232 | NPC477019 |
Remote Similarity | 0.6228 | NPC471614 |
Remote Similarity | 0.6227 | NPC65277 |
Remote Similarity | 0.6215 | NPC471603 |
Remote Similarity | 0.6209 | NPC193238 |
Remote Similarity | 0.6205 | NPC288943 |
Remote Similarity | 0.6202 | NPC31930 |
Remote Similarity | 0.6195 | NPC194967 |
Remote Similarity | 0.6193 | NPC168486 |
Remote Similarity | 0.6193 | NPC222592 |
Remote Similarity | 0.619 | NPC324203 |
Remote Similarity | 0.619 | NPC322976 |
Remote Similarity | 0.619 | NPC63338 |
Remote Similarity | 0.6184 | NPC476582 |
Remote Similarity | 0.6184 | NPC476578 |
Remote Similarity | 0.6184 | NPC476167 |
Remote Similarity | 0.6184 | NPC4071 |
Remote Similarity | 0.6183 | NPC26872 |
Remote Similarity | 0.6176 | NPC475190 |
Remote Similarity | 0.6173 | NPC283152 |
Remote Similarity | 0.6172 | NPC470678 |
Remote Similarity | 0.6171 | NPC174421 |
Remote Similarity | 0.617 | NPC132680 |
Remote Similarity | 0.617 | NPC269919 |
Remote Similarity | 0.6167 | NPC318935 |
Remote Similarity | 0.6162 | NPC474798 |
Remote Similarity | 0.6161 | NPC477113 |
Remote Similarity | 0.6154 | NPC471323 |
Remote Similarity | 0.6154 | NPC234197 |
Remote Similarity | 0.615 | NPC180504 |
Remote Similarity | 0.6147 | NPC473822 |
Remote Similarity | 0.6146 | NPC108469 |
Remote Similarity | 0.6137 | NPC161801 |
Remote Similarity | 0.6136 | NPC17305 |
Remote Similarity | 0.6135 | NPC192315 |
Remote Similarity | 0.6119 | NPC292958 |
Remote Similarity | 0.6117 | NPC315257 |
Remote Similarity | 0.6114 | NPC36229 |
Remote Similarity | 0.6114 | NPC476581 |
Remote Similarity | 0.6114 | NPC16452 |
Remote Similarity | 0.6108 | NPC3715 |
Remote Similarity | 0.6103 | NPC82548 |
Remote Similarity | 0.6103 | NPC111624 |
Remote Similarity | 0.6098 | NPC329541 |
Remote Similarity | 0.6095 | NPC66815 |
Remote Similarity | 0.6092 | NPC471321 |
Remote Similarity | 0.6092 | NPC471306 |
Remote Similarity | 0.6087 | NPC220523 |
Remote Similarity | 0.6085 | NPC26850 |
Remote Similarity | 0.608 | NPC118776 |
Remote Similarity | 0.6071 | NPC312872 |
Remote Similarity | 0.6065 | NPC112206 |
Remote Similarity | 0.6065 | NPC202605 |
Remote Similarity | 0.6061 | NPC472168 |
Remote Similarity | 0.6059 | NPC110741 |
Remote Similarity | 0.6058 | NPC127085 |
Remote Similarity | 0.6048 | NPC232727 |
Remote Similarity | 0.6042 | NPC211187 |
Remote Similarity | 0.6042 | NPC150447 |
Remote Similarity | 0.604 | NPC61350 |
Remote Similarity | 0.6038 | NPC210256 |
Remote Similarity | 0.6034 | NPC171393 |
Remote Similarity | 0.6034 | NPC295452 |
Remote Similarity | 0.6028 | NPC18348 |
Remote Similarity | 0.6009 | NPC316756 |
Remote Similarity | 0.6009 | NPC304183 |
Remote Similarity | 0.6009 | NPC50511 |
Remote Similarity | 0.6 | NPC187145 |
Remote Similarity | 0.6 | NPC256828 |
Remote Similarity | 0.6 | NPC121772 |
Remote Similarity | 0.599 | NPC314002 |
Remote Similarity | 0.5982 | NPC477110 |
Remote Similarity | 0.5981 | NPC313189 |
Remote Similarity | 0.5981 | NPC239954 |
Remote Similarity | 0.598 | NPC42979 |
Remote Similarity | 0.598 | NPC44354 |
Remote Similarity | 0.598 | NPC242928 |
Remote Similarity | 0.5976 | NPC256369 |
Remote Similarity | 0.5972 | NPC470020 |
Remote Similarity | 0.5972 | NPC219664 |
Remote Similarity | 0.5972 | NPC470586 |
Remote Similarity | 0.5972 | NPC188420 |
Remote Similarity | 0.5965 | NPC469554 |
Remote Similarity | 0.5965 | NPC101543 |
Remote Similarity | 0.5963 | NPC266931 |
Remote Similarity | 0.5962 | NPC285558 |
Remote Similarity | 0.596 | NPC224764 |
Remote Similarity | 0.5952 | NPC128823 |
Remote Similarity | 0.5945 | NPC208284 |
Remote Similarity | 0.5943 | NPC212125 |
Remote Similarity | 0.5942 | NPC230403 |
Remote Similarity | 0.5942 | NPC198673 |
Remote Similarity | 0.5942 | NPC84853 |
Remote Similarity | 0.5941 | NPC320394 |
Remote Similarity | 0.5941 | NPC204717 |
Remote Similarity | 0.5938 | NPC25899 |
Remote Similarity | 0.5938 | NPC322482 |
Remote Similarity | 0.5936 | NPC282531 |
Remote Similarity | 0.5935 | NPC472111 |
Remote Similarity | 0.5931 | NPC206251 |
Remote Similarity | 0.5931 | NPC74382 |
Molecular Weight   | 202.07 |
ALogP   | 0.0276 |
MLogP   | 2.23 |
XLogP   | 2.423 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 55.24 |
RO5 Violation   | 0 |