Drug ID:   | NPD962 |
Drug Name:   | Ozagrel |
Molecular Formula:   | C13H12N2O2 |
Canonical SMILES:   | OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1 |
Standard InCHI:   | InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+ |
Standard InCHIKey:   | SHZKQBHERIJWAO-AATRIKPKSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.7468 | NPC282531 |
Intermediate Similarity | 0.7267 | NPC469975 |
Remote Similarity | 0.6936 | NPC317054 |
Remote Similarity | 0.6667 | NPC54537 |
Remote Similarity | 0.6615 | NPC242923 |
Remote Similarity | 0.6592 | NPC24864 |
Remote Similarity | 0.655 | NPC293487 |
Remote Similarity | 0.6548 | NPC282247 |
Remote Similarity | 0.6538 | NPC476341 |
Remote Similarity | 0.6531 | NPC54981 |
Remote Similarity | 0.6522 | NPC472289 |
Remote Similarity | 0.6457 | NPC49217 |
Remote Similarity | 0.6444 | NPC265710 |
Remote Similarity | 0.6437 | NPC478182 |
Remote Similarity | 0.641 | NPC243319 |
Remote Similarity | 0.6409 | NPC16659 |
Remote Similarity | 0.6389 | NPC240088 |
Remote Similarity | 0.6389 | NPC473380 |
Remote Similarity | 0.6384 | NPC32534 |
Remote Similarity | 0.6379 | NPC478185 |
Remote Similarity | 0.6378 | NPC71238 |
Remote Similarity | 0.6364 | NPC478183 |
Remote Similarity | 0.6358 | NPC300238 |
Remote Similarity | 0.6358 | NPC29702 |
Remote Similarity | 0.6343 | NPC478184 |
Remote Similarity | 0.6335 | NPC474916 |
Remote Similarity | 0.6319 | NPC114310 |
Remote Similarity | 0.6312 | NPC256893 |
Remote Similarity | 0.6305 | NPC308906 |
Remote Similarity | 0.6294 | NPC116555 |
Remote Similarity | 0.6272 | NPC114209 |
Remote Similarity | 0.625 | NPC159856 |
Remote Similarity | 0.6238 | NPC177996 |
Remote Similarity | 0.6238 | NPC147983 |
Remote Similarity | 0.6228 | NPC42483 |
Remote Similarity | 0.6211 | NPC471322 |
Remote Similarity | 0.6205 | NPC57398 |
Remote Similarity | 0.6201 | NPC91895 |
Remote Similarity | 0.6194 | NPC48564 |
Remote Similarity | 0.6194 | NPC182570 |
Remote Similarity | 0.6194 | NPC265605 |
Remote Similarity | 0.6188 | NPC469938 |
Remote Similarity | 0.6183 | NPC101676 |
Remote Similarity | 0.6175 | NPC12649 |
Remote Similarity | 0.6169 | NPC471603 |
Remote Similarity | 0.6143 | NPC156003 |
Remote Similarity | 0.6136 | NPC470204 |
Remote Similarity | 0.6129 | NPC285923 |
Remote Similarity | 0.6121 | NPC65408 |
Remote Similarity | 0.6117 | NPC133782 |
Remote Similarity | 0.6117 | NPC144474 |
Remote Similarity | 0.6117 | NPC527 |
Remote Similarity | 0.6114 | NPC116622 |
Remote Similarity | 0.6111 | NPC164664 |
Remote Similarity | 0.6105 | NPC24678 |
Remote Similarity | 0.6105 | NPC105818 |
Remote Similarity | 0.6102 | NPC470203 |
Remote Similarity | 0.6102 | NPC225018 |
Remote Similarity | 0.6092 | NPC120070 |
Remote Similarity | 0.6092 | NPC263455 |
Remote Similarity | 0.6089 | NPC56233 |
Remote Similarity | 0.6082 | NPC470111 |
Remote Similarity | 0.6082 | NPC477974 |
Remote Similarity | 0.6078 | NPC62995 |
Remote Similarity | 0.6076 | NPC52764 |
Remote Similarity | 0.6074 | NPC322488 |
Remote Similarity | 0.6069 | NPC472260 |
Remote Similarity | 0.6059 | NPC167400 |
Remote Similarity | 0.6049 | NPC12100 |
Remote Similarity | 0.6049 | NPC267811 |
Remote Similarity | 0.6039 | NPC240136 |
Remote Similarity | 0.6039 | NPC471402 |
Remote Similarity | 0.6039 | NPC297486 |
Remote Similarity | 0.6036 | NPC190296 |
Remote Similarity | 0.6034 | NPC312860 |
Remote Similarity | 0.6019 | NPC323244 |
Remote Similarity | 0.6012 | NPC324611 |
Remote Similarity | 0.6011 | NPC469529 |
Remote Similarity | 0.6011 | NPC280290 |
Remote Similarity | 0.601 | NPC202812 |
Remote Similarity | 0.6 | NPC91958 |
Remote Similarity | 0.6 | NPC41717 |
Remote Similarity | 0.6 | NPC159630 |
Remote Similarity | 0.6 | NPC230085 |
Remote Similarity | 0.6 | NPC212213 |
Remote Similarity | 0.5979 | NPC62749 |
Remote Similarity | 0.5978 | NPC476419 |
Remote Similarity | 0.5975 | NPC27740 |
Remote Similarity | 0.5975 | NPC476322 |
Remote Similarity | 0.5968 | NPC73994 |
Remote Similarity | 0.5965 | NPC314372 |
Remote Similarity | 0.5964 | NPC216159 |
Remote Similarity | 0.5964 | NPC328029 |
Remote Similarity | 0.5963 | NPC471313 |
Remote Similarity | 0.5963 | NPC212125 |
Remote Similarity | 0.5963 | NPC471311 |
Remote Similarity | 0.596 | NPC211813 |
Remote Similarity | 0.5959 | NPC474180 |
Remote Similarity | 0.5959 | NPC188821 |
Remote Similarity | 0.5955 | NPC122141 |
Remote Similarity | 0.5932 | NPC124276 |
Remote Similarity | 0.593 | NPC63545 |
Remote Similarity | 0.593 | NPC478186 |
Remote Similarity | 0.593 | NPC200836 |
Remote Similarity | 0.593 | NPC53144 |
Remote Similarity | 0.5928 | NPC150259 |
Remote Similarity | 0.5928 | NPC280638 |
Remote Similarity | 0.5926 | NPC295158 |
Remote Similarity | 0.5918 | NPC239954 |
Remote Similarity | 0.5917 | NPC238499 |
Remote Similarity | 0.5915 | NPC101165 |
Remote Similarity | 0.5914 | NPC276540 |
Remote Similarity | 0.5914 | NPC233050 |
Remote Similarity | 0.5912 | NPC114637 |
Remote Similarity | 0.5912 | NPC290094 |
Remote Similarity | 0.5909 | NPC295452 |
Remote Similarity | 0.5909 | NPC469308 |
Remote Similarity | 0.5909 | NPC171393 |
Remote Similarity | 0.5907 | NPC328924 |
Remote Similarity | 0.5904 | NPC471609 |
Remote Similarity | 0.5899 | NPC135141 |
Remote Similarity | 0.5899 | NPC92796 |
Remote Similarity | 0.5897 | NPC143603 |
Remote Similarity | 0.5896 | NPC179787 |
Remote Similarity | 0.5896 | NPC469811 |
Remote Similarity | 0.5896 | NPC201380 |
Remote Similarity | 0.5894 | NPC27802 |
Remote Similarity | 0.5889 | NPC162268 |
Remote Similarity | 0.5879 | NPC78020 |
Remote Similarity | 0.5876 | NPC198673 |
Remote Similarity | 0.5866 | NPC131718 |
Remote Similarity | 0.5864 | NPC306397 |
Remote Similarity | 0.5864 | NPC278434 |
Remote Similarity | 0.5862 | NPC321911 |
Remote Similarity | 0.5856 | NPC477975 |
Remote Similarity | 0.5852 | NPC281094 |
Remote Similarity | 0.5851 | NPC243381 |
Remote Similarity | 0.5851 | NPC275292 |
Remote Similarity | 0.5843 | NPC129721 |
Remote Similarity | 0.5838 | NPC203468 |
Remote Similarity | 0.5838 | NPC149155 |
Remote Similarity | 0.5838 | NPC110500 |
Remote Similarity | 0.5838 | NPC143872 |
Remote Similarity | 0.5833 | NPC472288 |
Remote Similarity | 0.5833 | NPC242116 |
Remote Similarity | 0.5833 | NPC224632 |
Remote Similarity | 0.5821 | NPC472259 |
Remote Similarity | 0.5821 | NPC473376 |
Remote Similarity | 0.582 | NPC48938 |
Remote Similarity | 0.5819 | NPC476297 |
Remote Similarity | 0.5819 | NPC476219 |
Remote Similarity | 0.5817 | NPC238945 |
Remote Similarity | 0.5816 | NPC300139 |
Remote Similarity | 0.5816 | NPC233431 |
Remote Similarity | 0.5814 | NPC471323 |
Remote Similarity | 0.5814 | NPC69843 |
Remote Similarity | 0.5811 | NPC143516 |
Remote Similarity | 0.581 | NPC477591 |
Remote Similarity | 0.5806 | NPC84268 |
Remote Similarity | 0.5806 | NPC267885 |
Remote Similarity | 0.5805 | NPC100726 |
Remote Similarity | 0.5805 | NPC471957 |
Remote Similarity | 0.5803 | NPC83111 |
Remote Similarity | 0.5802 | NPC202957 |
Remote Similarity | 0.5802 | NPC169625 |
Remote Similarity | 0.5799 | NPC8590 |
Remote Similarity | 0.5798 | NPC317010 |
Remote Similarity | 0.5794 | NPC187145 |
Remote Similarity | 0.5793 | NPC476131 |
Remote Similarity | 0.5792 | NPC278874 |
Remote Similarity | 0.5789 | NPC475013 |
Remote Similarity | 0.5789 | NPC207851 |
Remote Similarity | 0.5789 | NPC108011 |
Remote Similarity | 0.5783 | NPC74619 |
Remote Similarity | 0.5783 | NPC150447 |
Remote Similarity | 0.5782 | NPC17305 |
Remote Similarity | 0.5775 | NPC83774 |
Remote Similarity | 0.5774 | NPC96102 |
Remote Similarity | 0.5772 | NPC474973 |
Remote Similarity | 0.5772 | NPC130898 |
Remote Similarity | 0.5772 | NPC474804 |
Remote Similarity | 0.5767 | NPC165370 |
Remote Similarity | 0.5767 | NPC191415 |
Remote Similarity | 0.5765 | NPC110126 |
Remote Similarity | 0.5765 | NPC73767 |
Remote Similarity | 0.5763 | NPC107287 |
Remote Similarity | 0.5763 | NPC259644 |
Remote Similarity | 0.5763 | NPC469763 |
Remote Similarity | 0.5763 | NPC73952 |
Remote Similarity | 0.5763 | NPC469765 |
Remote Similarity | 0.5763 | NPC469760 |
Remote Similarity | 0.5763 | NPC325903 |
Remote Similarity | 0.5763 | NPC25008 |
Remote Similarity | 0.5763 | NPC469786 |
Remote Similarity | 0.5762 | NPC250178 |
Remote Similarity | 0.5759 | NPC282103 |
Remote Similarity | 0.5758 | NPC315320 |
Remote Similarity | 0.5758 | NPC69914 |
Remote Similarity | 0.5758 | NPC168911 |
Remote Similarity | 0.5756 | NPC113369 |
TTD   | DIB012820; DCL000531; DCL000122 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 5282440 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 228.09 |
ALogP   | 0.1461 |
MLogP   | 2.45 |
XLogP   | 2.88 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 55.12 |
RO5 Violation   | 0 |