Drug ID:   | NPD3778 |
Drug Name:   | Bisoxatin |
Molecular Formula:   | C20H15NO4 |
Canonical SMILES:   | Oc1ccc(cc1)C1(Oc2ccccc2N=C1O)c1ccc(cc1)O |
Standard InCHI:   | InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24) |
Standard InCHIKey:   | BPKUDUSVDVLOPY-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | 0.8344 | NPC10875 |
Intermediate Similarity | 0.8344 | NPC10730 |
Intermediate Similarity | 0.8025 | NPC57105 |
Intermediate Similarity | 0.8012 | NPC313886 |
Intermediate Similarity | 0.7963 | NPC306366 |
Intermediate Similarity | 0.7917 | NPC168153 |
Intermediate Similarity | 0.7857 | NPC314113 |
Intermediate Similarity | 0.7853 | NPC231862 |
Intermediate Similarity | 0.7824 | NPC316161 |
Intermediate Similarity | 0.7818 | NPC204179 |
Intermediate Similarity | 0.7687 | NPC315632 |
Intermediate Similarity | 0.7636 | NPC235628 |
Intermediate Similarity | 0.7566 | NPC313466 |
Intermediate Similarity | 0.756 | NPC314861 |
Intermediate Similarity | 0.7485 | NPC184161 |
Intermediate Similarity | 0.7444 | NPC294244 |
Intermediate Similarity | 0.7401 | NPC28425 |
Intermediate Similarity | 0.7386 | NPC473987 |
Intermediate Similarity | 0.7386 | NPC192939 |
Intermediate Similarity | 0.7386 | NPC215747 |
Intermediate Similarity | 0.7356 | NPC315631 |
Intermediate Similarity | 0.7353 | NPC19555 |
Intermediate Similarity | 0.7345 | NPC119579 |
Intermediate Similarity | 0.733 | NPC260118 |
Intermediate Similarity | 0.7305 | NPC70549 |
Intermediate Similarity | 0.7288 | NPC311936 |
Intermediate Similarity | 0.7284 | NPC473769 |
Intermediate Similarity | 0.7273 | NPC265383 |
Intermediate Similarity | 0.7267 | NPC257354 |
Intermediate Similarity | 0.7262 | NPC291359 |
Intermediate Similarity | 0.7256 | NPC471032 |
Intermediate Similarity | 0.7256 | NPC470935 |
Intermediate Similarity | 0.7222 | NPC180253 |
Intermediate Similarity | 0.7222 | NPC219170 |
Intermediate Similarity | 0.7215 | NPC126637 |
Intermediate Similarity | 0.7195 | NPC115144 |
Intermediate Similarity | 0.7195 | NPC277857 |
Intermediate Similarity | 0.7182 | NPC22928 |
Intermediate Similarity | 0.7178 | NPC313414 |
Intermediate Similarity | 0.7151 | NPC469829 |
Intermediate Similarity | 0.7151 | NPC127362 |
Intermediate Similarity | 0.7143 | NPC112676 |
Intermediate Similarity | 0.7143 | NPC112766 |
Intermediate Similarity | 0.7134 | NPC297584 |
Intermediate Similarity | 0.7125 | NPC299583 |
Intermediate Similarity | 0.7111 | NPC276060 |
Intermediate Similarity | 0.7097 | NPC478049 |
Intermediate Similarity | 0.7073 | NPC5462 |
Intermediate Similarity | 0.7053 | NPC159101 |
Intermediate Similarity | 0.7049 | NPC296742 |
Intermediate Similarity | 0.7041 | NPC56635 |
Intermediate Similarity | 0.7037 | NPC214368 |
Intermediate Similarity | 0.7033 | NPC69213 |
Intermediate Similarity | 0.703 | NPC245974 |
Intermediate Similarity | 0.7024 | NPC52475 |
Intermediate Similarity | 0.702 | NPC83279 |
Intermediate Similarity | 0.7013 | NPC29477 |
Intermediate Similarity | 0.7012 | NPC247298 |
Intermediate Similarity | 0.7006 | NPC114102 |
Intermediate Similarity | 0.7005 | NPC314948 |
Remote Similarity | 0.6995 | NPC224293 |
Remote Similarity | 0.6994 | NPC179250 |
Remote Similarity | 0.6994 | NPC50380 |
Remote Similarity | 0.6993 | NPC211218 |
Remote Similarity | 0.6982 | NPC275027 |
Remote Similarity | 0.6982 | NPC18614 |
Remote Similarity | 0.6981 | NPC92805 |
Remote Similarity | 0.6971 | NPC90984 |
Remote Similarity | 0.6964 | NPC219383 |
Remote Similarity | 0.6962 | NPC208022 |
Remote Similarity | 0.6957 | NPC312770 |
Remote Similarity | 0.6957 | NPC41473 |
Remote Similarity | 0.6957 | NPC14600 |
Remote Similarity | 0.6957 | NPC204848 |
Remote Similarity | 0.6957 | NPC160607 |
Remote Similarity | 0.6951 | NPC178466 |
Remote Similarity | 0.6951 | NPC63628 |
Remote Similarity | 0.6948 | NPC62101 |
Remote Similarity | 0.6948 | NPC95733 |
Remote Similarity | 0.6928 | NPC471314 |
Remote Similarity | 0.6928 | NPC471315 |
Remote Similarity | 0.6927 | NPC472331 |
Remote Similarity | 0.6927 | NPC126515 |
Remote Similarity | 0.6927 | NPC274002 |
Remote Similarity | 0.6923 | NPC259098 |
Remote Similarity | 0.6923 | NPC127402 |
Remote Similarity | 0.6923 | NPC197680 |
Remote Similarity | 0.6919 | NPC206736 |
Remote Similarity | 0.6919 | NPC195766 |
Remote Similarity | 0.6918 | NPC131128 |
Remote Similarity | 0.6918 | NPC474134 |
Remote Similarity | 0.6911 | NPC311357 |
Remote Similarity | 0.691 | NPC8467 |
Remote Similarity | 0.691 | NPC231371 |
Remote Similarity | 0.6906 | NPC469831 |
Remote Similarity | 0.6901 | NPC107602 |
Remote Similarity | 0.6901 | NPC87363 |
Remote Similarity | 0.689 | NPC222039 |
Remote Similarity | 0.689 | NPC100478 |
Remote Similarity | 0.6887 | NPC43275 |
Remote Similarity | 0.6882 | NPC318805 |
Remote Similarity | 0.6882 | NPC41122 |
Remote Similarity | 0.6875 | NPC218530 |
Remote Similarity | 0.6871 | NPC189724 |
Remote Similarity | 0.6871 | NPC83289 |
Remote Similarity | 0.6871 | NPC212850 |
Remote Similarity | 0.6867 | NPC311737 |
Remote Similarity | 0.6867 | NPC38458 |
Remote Similarity | 0.6863 | NPC97432 |
Remote Similarity | 0.6863 | NPC190454 |
Remote Similarity | 0.6862 | NPC108847 |
Remote Similarity | 0.6859 | NPC17837 |
Remote Similarity | 0.6859 | NPC156854 |
Remote Similarity | 0.6859 | NPC134431 |
Remote Similarity | 0.6859 | NPC304630 |
Remote Similarity | 0.6855 | NPC130595 |
Remote Similarity | 0.6855 | NPC214869 |
Remote Similarity | 0.6855 | NPC471953 |
Remote Similarity | 0.6855 | NPC93882 |
Remote Similarity | 0.6852 | NPC18189 |
Remote Similarity | 0.6852 | NPC262585 |
Remote Similarity | 0.6852 | NPC20829 |
Remote Similarity | 0.6845 | NPC78284 |
Remote Similarity | 0.6842 | NPC263835 |
Remote Similarity | 0.6842 | NPC41801 |
Remote Similarity | 0.6835 | NPC195749 |
Remote Similarity | 0.6835 | NPC35961 |
Remote Similarity | 0.6835 | NPC52029 |
Remote Similarity | 0.6832 | NPC256307 |
Remote Similarity | 0.6832 | NPC66840 |
Remote Similarity | 0.6818 | NPC470936 |
Remote Similarity | 0.6815 | NPC251571 |
Remote Similarity | 0.6813 | NPC313737 |
Remote Similarity | 0.6813 | NPC6854 |
Remote Similarity | 0.6813 | NPC285078 |
Remote Similarity | 0.6811 | NPC320088 |
Remote Similarity | 0.681 | NPC296898 |
Remote Similarity | 0.6809 | NPC29472 |
Remote Similarity | 0.6809 | NPC85381 |
Remote Similarity | 0.6807 | NPC473874 |
Remote Similarity | 0.6805 | NPC182119 |
Remote Similarity | 0.68 | NPC82963 |
Remote Similarity | 0.68 | NPC258992 |
Remote Similarity | 0.6798 | NPC225381 |
Remote Similarity | 0.6788 | NPC469440 |
Remote Similarity | 0.6782 | NPC329837 |
Remote Similarity | 0.678 | NPC68328 |
Remote Similarity | 0.678 | NPC477888 |
Remote Similarity | 0.6778 | NPC474051 |
Remote Similarity | 0.6772 | NPC222572 |
Remote Similarity | 0.6772 | NPC155838 |
Remote Similarity | 0.6772 | NPC87224 |
Remote Similarity | 0.6768 | NPC55947 |
Remote Similarity | 0.6758 | NPC314025 |
Remote Similarity | 0.6757 | NPC469830 |
Remote Similarity | 0.6753 | NPC473422 |
Remote Similarity | 0.675 | NPC68205 |
Remote Similarity | 0.675 | NPC162801 |
Remote Similarity | 0.675 | NPC164804 |
Remote Similarity | 0.675 | NPC293203 |
Remote Similarity | 0.675 | NPC118683 |
Remote Similarity | 0.675 | NPC244888 |
Remote Similarity | 0.675 | NPC211413 |
Remote Similarity | 0.6748 | NPC193528 |
Remote Similarity | 0.6748 | NPC77861 |
Remote Similarity | 0.6748 | NPC254610 |
Remote Similarity | 0.6744 | NPC51543 |
Remote Similarity | 0.6738 | NPC475411 |
Remote Similarity | 0.6737 | NPC234318 |
Remote Similarity | 0.673 | NPC134360 |
Remote Similarity | 0.673 | NPC210655 |
Remote Similarity | 0.6728 | NPC124085 |
Remote Similarity | 0.6728 | NPC184269 |
Remote Similarity | 0.6728 | NPC117048 |
Remote Similarity | 0.6727 | NPC55793 |
Remote Similarity | 0.6709 | NPC470699 |
Remote Similarity | 0.6709 | NPC46978 |
Remote Similarity | 0.6708 | NPC73656 |
Remote Similarity | 0.6708 | NPC469611 |
Remote Similarity | 0.6707 | NPC48956 |
Remote Similarity | 0.6707 | NPC474390 |
Remote Similarity | 0.6706 | NPC139699 |
Remote Similarity | 0.6706 | NPC114659 |
Remote Similarity | 0.6705 | NPC60186 |
Remote Similarity | 0.6703 | NPC276674 |
Remote Similarity | 0.6703 | NPC61350 |
Remote Similarity | 0.6703 | NPC33902 |
Remote Similarity | 0.6688 | NPC167571 |
Remote Similarity | 0.6688 | NPC278552 |
Remote Similarity | 0.6688 | NPC194519 |
Remote Similarity | 0.6688 | NPC207179 |
Remote Similarity | 0.6688 | NPC133407 |
Remote Similarity | 0.6688 | NPC28476 |
Remote Similarity | 0.6687 | NPC255550 |
Remote Similarity | 0.6687 | NPC308885 |
Remote Similarity | 0.6687 | NPC470372 |
Remote Similarity | 0.6687 | NPC178054 |
Remote Similarity | 0.6687 | NPC91291 |
Remote Similarity | 0.6687 | NPC100482 |
Remote Similarity | 0.6687 | NPC93783 |
Molecular Weight   | 333.10 |
ALogP   | -1.4412 |
MLogP   | 3.11 |
XLogP   | 4.061 |
HDA   | 2 |
HBD   | 3 |
Rotatable Bonds   | 5 |
TPSA   | 82.28 |
RO5 Violation   | 0 |