Drug ID:   | NPD1193 |
Drug Name:   | |
Molecular Formula:   | C14H10N2O |
Canonical SMILES:   | c1ccc(cc1)Oc1nncc2c1cccc2 |
Standard InCHI:   | InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H |
Standard InCHIKey:   | CSHSXUZQMJVDJY-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 | 0.7219 | NPC477888 |
Remote Similarity | 0.6831 | NPC133140 |
Remote Similarity | 0.6831 | NPC195268 |
Remote Similarity | 0.6824 | NPC177404 |
Remote Similarity | 0.6786 | NPC477889 |
Remote Similarity | 0.6746 | NPC26850 |
Remote Similarity | 0.672 | NPC194967 |
Remote Similarity | 0.6631 | NPC473053 |
Remote Similarity | 0.6615 | NPC290689 |
Remote Similarity | 0.6614 | NPC287437 |
Remote Similarity | 0.6611 | NPC470474 |
Remote Similarity | 0.6579 | NPC234197 |
Remote Similarity | 0.6579 | NPC477019 |
Remote Similarity | 0.6568 | NPC26872 |
Remote Similarity | 0.6545 | NPC31930 |
Remote Similarity | 0.6536 | NPC471314 |
Remote Similarity | 0.6536 | NPC471315 |
Remote Similarity | 0.6526 | NPC476578 |
Remote Similarity | 0.6526 | NPC476582 |
Remote Similarity | 0.6526 | NPC4071 |
Remote Similarity | 0.649 | NPC43275 |
Remote Similarity | 0.6447 | NPC263835 |
Remote Similarity | 0.6443 | NPC36229 |
Remote Similarity | 0.6443 | NPC16452 |
Remote Similarity | 0.6443 | NPC476581 |
Remote Similarity | 0.6436 | NPC289786 |
Remote Similarity | 0.6421 | NPC267928 |
Remote Similarity | 0.641 | NPC470164 |
Remote Similarity | 0.641 | NPC323345 |
Remote Similarity | 0.6387 | NPC217277 |
Remote Similarity | 0.6381 | NPC180504 |
Remote Similarity | 0.6374 | NPC222592 |
Remote Similarity | 0.6374 | NPC476568 |
Remote Similarity | 0.6374 | NPC168486 |
Remote Similarity | 0.6364 | NPC471593 |
Remote Similarity | 0.6343 | NPC471177 |
Remote Similarity | 0.6343 | NPC124542 |
Remote Similarity | 0.6343 | NPC59779 |
Remote Similarity | 0.634 | NPC471308 |
Remote Similarity | 0.634 | NPC289330 |
Remote Similarity | 0.634 | NPC53596 |
Remote Similarity | 0.634 | NPC17388 |
Remote Similarity | 0.634 | NPC160120 |
Remote Similarity | 0.6333 | NPC312872 |
Remote Similarity | 0.6332 | NPC208284 |
Remote Similarity | 0.6321 | NPC176538 |
Remote Similarity | 0.6321 | NPC19872 |
Remote Similarity | 0.631 | NPC296527 |
Remote Similarity | 0.6307 | NPC97367 |
Remote Similarity | 0.6307 | NPC118511 |
Remote Similarity | 0.6305 | NPC473822 |
Remote Similarity | 0.6301 | NPC309982 |
Remote Similarity | 0.6298 | NPC288943 |
Remote Similarity | 0.6294 | NPC313189 |
Remote Similarity | 0.6294 | NPC135549 |
Remote Similarity | 0.6287 | NPC477890 |
Remote Similarity | 0.6281 | NPC188420 |
Remote Similarity | 0.6277 | NPC76748 |
Remote Similarity | 0.6276 | NPC285558 |
Remote Similarity | 0.6275 | NPC256369 |
Remote Similarity | 0.6271 | NPC471178 |
Remote Similarity | 0.6257 | NPC476518 |
Remote Similarity | 0.6243 | NPC18614 |
Remote Similarity | 0.6243 | NPC92111 |
Remote Similarity | 0.6233 | NPC186469 |
Remote Similarity | 0.6222 | NPC14651 |
Remote Similarity | 0.6222 | NPC121658 |
Remote Similarity | 0.6219 | NPC171409 |
Remote Similarity | 0.6219 | NPC112206 |
Remote Similarity | 0.6219 | NPC96405 |
Remote Similarity | 0.6219 | NPC296482 |
Remote Similarity | 0.6219 | NPC53069 |
Remote Similarity | 0.6219 | NPC202768 |
Remote Similarity | 0.6219 | NPC251160 |
Remote Similarity | 0.6219 | NPC202605 |
Remote Similarity | 0.6216 | NPC469831 |
Remote Similarity | 0.6215 | NPC473057 |
Remote Similarity | 0.6211 | NPC476570 |
Remote Similarity | 0.6207 | NPC475269 |
Remote Similarity | 0.6205 | NPC314682 |
Remote Similarity | 0.6205 | NPC232727 |
Remote Similarity | 0.6203 | NPC29477 |
Remote Similarity | 0.6203 | NPC61350 |
Remote Similarity | 0.62 | NPC26524 |
Remote Similarity | 0.62 | NPC470020 |
Remote Similarity | 0.6193 | NPC165349 |
Remote Similarity | 0.6193 | NPC47059 |
Remote Similarity | 0.6193 | NPC118832 |
Remote Similarity | 0.6193 | NPC264166 |
Remote Similarity | 0.6193 | NPC274291 |
Remote Similarity | 0.6193 | NPC329708 |
Remote Similarity | 0.6188 | NPC149471 |
Remote Similarity | 0.6188 | NPC111624 |
Remote Similarity | 0.6188 | NPC271215 |
Remote Similarity | 0.6188 | NPC236668 |
Remote Similarity | 0.6185 | NPC52475 |
Remote Similarity | 0.6183 | NPC469829 |
Remote Similarity | 0.6181 | NPC287208 |
Remote Similarity | 0.6181 | NPC82548 |
Remote Similarity | 0.6178 | NPC307963 |
Remote Similarity | 0.6175 | NPC283152 |
Remote Similarity | 0.617 | NPC66083 |
Remote Similarity | 0.6168 | NPC474915 |
Remote Similarity | 0.6168 | NPC188163 |
Remote Similarity | 0.6168 | NPC213206 |
Remote Similarity | 0.6168 | NPC328750 |
Remote Similarity | 0.6168 | NPC470925 |
Remote Similarity | 0.6166 | NPC224928 |
Remote Similarity | 0.6164 | NPC326801 |
Remote Similarity | 0.6162 | NPC206201 |
Remote Similarity | 0.6158 | NPC235076 |
Remote Similarity | 0.6158 | NPC146976 |
Remote Similarity | 0.6154 | NPC247298 |
Remote Similarity | 0.6154 | NPC315957 |
Remote Similarity | 0.615 | NPC174672 |
Remote Similarity | 0.6149 | NPC160193 |
Remote Similarity | 0.6142 | NPC476138 |
Remote Similarity | 0.6142 | NPC245816 |
Remote Similarity | 0.6141 | NPC472168 |
Remote Similarity | 0.6138 | NPC241224 |
Remote Similarity | 0.6136 | NPC25084 |
Remote Similarity | 0.6136 | NPC247639 |
Remote Similarity | 0.6129 | NPC176127 |
Remote Similarity | 0.6119 | NPC167860 |
Remote Similarity | 0.6119 | NPC123976 |
Remote Similarity | 0.6118 | NPC303370 |
Remote Similarity | 0.6114 | NPC13880 |
Remote Similarity | 0.6108 | NPC189724 |
Remote Similarity | 0.6108 | NPC162530 |
Remote Similarity | 0.6108 | NPC212850 |
Remote Similarity | 0.6108 | NPC83289 |
Remote Similarity | 0.6108 | NPC476287 |
Remote Similarity | 0.6096 | NPC42383 |
Remote Similarity | 0.6094 | NPC329541 |
Remote Similarity | 0.609 | NPC318357 |
Remote Similarity | 0.6089 | NPC24954 |
Remote Similarity | 0.6085 | NPC469830 |
Remote Similarity | 0.6082 | NPC245974 |
Remote Similarity | 0.6081 | NPC153690 |
Remote Similarity | 0.6081 | NPC97811 |
Remote Similarity | 0.6076 | NPC211218 |
Remote Similarity | 0.6074 | NPC471953 |
Remote Similarity | 0.6073 | NPC469390 |
Remote Similarity | 0.607 | NPC174758 |
Remote Similarity | 0.607 | NPC185782 |
Remote Similarity | 0.6068 | NPC204446 |
Remote Similarity | 0.6068 | NPC100079 |
Remote Similarity | 0.6068 | NPC23614 |
Remote Similarity | 0.6067 | NPC216816 |
Remote Similarity | 0.6061 | NPC475774 |
Remote Similarity | 0.6056 | NPC201508 |
Remote Similarity | 0.6047 | NPC144863 |
Remote Similarity | 0.6047 | NPC95075 |
Remote Similarity | 0.6047 | NPC90844 |
Remote Similarity | 0.6047 | NPC253883 |
Remote Similarity | 0.6044 | NPC252590 |
Remote Similarity | 0.6042 | NPC141915 |
Remote Similarity | 0.6042 | NPC114335 |
Remote Similarity | 0.6042 | NPC280964 |
Remote Similarity | 0.6039 | NPC46451 |
Remote Similarity | 0.6038 | NPC95733 |
Remote Similarity | 0.6038 | NPC62101 |
Remote Similarity | 0.6037 | NPC160692 |
Remote Similarity | 0.6032 | NPC204385 |
Remote Similarity | 0.6031 | NPC251090 |
Remote Similarity | 0.6031 | NPC472193 |
Remote Similarity | 0.6029 | NPC216612 |
Remote Similarity | 0.6023 | NPC315257 |
Remote Similarity | 0.6023 | NPC5462 |
Remote Similarity | 0.6023 | NPC185838 |
Remote Similarity | 0.602 | NPC476465 |
Remote Similarity | 0.6019 | NPC473513 |
Remote Similarity | 0.6011 | NPC84478 |
Remote Similarity | 0.601 | NPC174049 |
Remote Similarity | 0.6 | NPC476567 |
Remote Similarity | 0.6 | NPC128019 |
Remote Similarity | 0.6 | NPC96584 |
Remote Similarity | 0.6 | NPC300166 |
Remote Similarity | 0.6 | NPC136860 |
Remote Similarity | 0.6 | NPC255800 |
Remote Similarity | 0.599 | NPC11017 |
Remote Similarity | 0.599 | NPC173080 |
Remote Similarity | 0.5989 | NPC161887 |
Remote Similarity | 0.5989 | NPC473764 |
Remote Similarity | 0.5989 | NPC219963 |
Remote Similarity | 0.5989 | NPC474798 |
Remote Similarity | 0.5989 | NPC314940 |
Remote Similarity | 0.5989 | NPC266551 |
Remote Similarity | 0.5988 | NPC471316 |
Remote Similarity | 0.5988 | NPC290404 |
Remote Similarity | 0.598 | NPC26679 |
Remote Similarity | 0.598 | NPC469440 |
Remote Similarity | 0.5979 | NPC476202 |
Remote Similarity | 0.5977 | NPC92541 |
Remote Similarity | 0.5977 | NPC219162 |
Remote Similarity | 0.5975 | NPC255253 |
Remote Similarity | 0.5975 | NPC328267 |
Remote Similarity | 0.5973 | NPC146530 |
Remote Similarity | 0.597 | NPC193238 |
Remote Similarity | 0.5969 | NPC44354 |
Molecular Weight   | 222.08 |
ALogP   | -0.1541 |
MLogP   | 2.67 |
XLogP   | 4.987 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 35.01 |
RO5 Violation   | 0 |