Drug ID:   | NPD1363 |
Drug Name:   | Oxolamine |
Molecular Formula:   | C14H19N3O |
Canonical SMILES:   | CCN(CCc1onc(n1)c1ccccc1)CC |
Standard InCHI:   | InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3 |
Standard InCHIKey:   | IDCHQQSVJAAUQQ-UHFFFAOYSA-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 |
---|---|---|
Remote Similarity | 0.6936 | NPC317054 |
Remote Similarity | 0.6835 | NPC65408 |
Remote Similarity | 0.677 | NPC277157 |
Remote Similarity | 0.6708 | NPC238499 |
Remote Similarity | 0.6646 | NPC470440 |
Remote Similarity | 0.6566 | NPC114209 |
Remote Similarity | 0.6536 | NPC265710 |
Remote Similarity | 0.6513 | NPC182570 |
Remote Similarity | 0.6513 | NPC48564 |
Remote Similarity | 0.6513 | NPC265605 |
Remote Similarity | 0.6509 | NPC281094 |
Remote Similarity | 0.65 | NPC16659 |
Remote Similarity | 0.6441 | NPC476686 |
Remote Similarity | 0.6441 | NPC105758 |
Remote Similarity | 0.6441 | NPC476688 |
Remote Similarity | 0.6429 | NPC290094 |
Remote Similarity | 0.642 | NPC278874 |
Remote Similarity | 0.6415 | NPC471322 |
Remote Similarity | 0.6393 | NPC21429 |
Remote Similarity | 0.639 | NPC471615 |
Remote Similarity | 0.6389 | NPC473380 |
Remote Similarity | 0.6389 | NPC240088 |
Remote Similarity | 0.6384 | NPC32534 |
Remote Similarity | 0.6379 | NPC194881 |
Remote Similarity | 0.6359 | NPC476341 |
Remote Similarity | 0.6358 | NPC216159 |
Remote Similarity | 0.6353 | NPC469975 |
Remote Similarity | 0.6347 | NPC204141 |
Remote Similarity | 0.6347 | NPC285731 |
Remote Similarity | 0.6341 | NPC104483 |
Remote Similarity | 0.6329 | NPC89490 |
Remote Similarity | 0.6324 | NPC135601 |
Remote Similarity | 0.6324 | NPC141612 |
Remote Similarity | 0.6324 | NPC17273 |
Remote Similarity | 0.6319 | NPC125746 |
Remote Similarity | 0.631 | NPC478186 |
Remote Similarity | 0.6306 | NPC169625 |
Remote Similarity | 0.6306 | NPC202957 |
Remote Similarity | 0.6291 | NPC476566 |
Remote Similarity | 0.6289 | NPC475090 |
Remote Similarity | 0.6289 | NPC329896 |
Remote Similarity | 0.6289 | NPC475105 |
Remote Similarity | 0.6271 | NPC49217 |
Remote Similarity | 0.625 | NPC478182 |
Remote Similarity | 0.625 | NPC207428 |
Remote Similarity | 0.6222 | NPC208060 |
Remote Similarity | 0.6221 | NPC200214 |
Remote Similarity | 0.622 | NPC315822 |
Remote Similarity | 0.622 | NPC150259 |
Remote Similarity | 0.6211 | NPC101165 |
Remote Similarity | 0.6209 | NPC14325 |
Remote Similarity | 0.6209 | NPC28848 |
Remote Similarity | 0.6209 | NPC91958 |
Remote Similarity | 0.6205 | NPC59084 |
Remote Similarity | 0.6201 | NPC65080 |
Remote Similarity | 0.6196 | NPC198988 |
Remote Similarity | 0.6193 | NPC242116 |
Remote Similarity | 0.618 | NPC114637 |
Remote Similarity | 0.6178 | NPC27740 |
Remote Similarity | 0.6176 | NPC470111 |
Remote Similarity | 0.6171 | NPC300238 |
Remote Similarity | 0.6171 | NPC293487 |
Remote Similarity | 0.617 | NPC472289 |
Remote Similarity | 0.6168 | NPC473868 |
Remote Similarity | 0.6168 | NPC63157 |
Remote Similarity | 0.6164 | NPC471311 |
Remote Similarity | 0.6164 | NPC471313 |
Remote Similarity | 0.6162 | NPC243850 |
Remote Similarity | 0.6158 | NPC478184 |
Remote Similarity | 0.6154 | NPC314372 |
Remote Similarity | 0.6154 | NPC41174 |
Remote Similarity | 0.6149 | NPC22079 |
Remote Similarity | 0.6149 | NPC51054 |
Remote Similarity | 0.6145 | NPC110126 |
Remote Similarity | 0.6145 | NPC73767 |
Remote Similarity | 0.6144 | NPC240136 |
Remote Similarity | 0.6144 | NPC81561 |
Remote Similarity | 0.6144 | NPC471402 |
Remote Similarity | 0.6144 | NPC297486 |
Remote Similarity | 0.614 | NPC282531 |
Remote Similarity | 0.6135 | NPC300299 |
Remote Similarity | 0.6133 | NPC161861 |
Remote Similarity | 0.6131 | NPC190296 |
Remote Similarity | 0.6122 | NPC164802 |
Remote Similarity | 0.6111 | NPC164664 |
Remote Similarity | 0.6108 | NPC477891 |
Remote Similarity | 0.6108 | NPC2949 |
Remote Similarity | 0.6107 | NPC27802 |
Remote Similarity | 0.6104 | NPC143603 |
Remote Similarity | 0.6102 | NPC224632 |
Remote Similarity | 0.6101 | NPC75999 |
Remote Similarity | 0.6092 | NPC476219 |
Remote Similarity | 0.6092 | NPC476297 |
Remote Similarity | 0.6089 | NPC56233 |
Remote Similarity | 0.608 | NPC6436 |
Remote Similarity | 0.6078 | NPC148140 |
Remote Similarity | 0.6076 | NPC476322 |
Remote Similarity | 0.6075 | NPC471609 |
Remote Similarity | 0.6067 | NPC21174 |
Remote Similarity | 0.6067 | NPC271797 |
Remote Similarity | 0.6061 | NPC325252 |
Remote Similarity | 0.6061 | NPC218268 |
Remote Similarity | 0.6054 | NPC88110 |
Remote Similarity | 0.6048 | NPC88097 |
Remote Similarity | 0.6043 | NPC470003 |
Remote Similarity | 0.6043 | NPC165495 |
Remote Similarity | 0.6043 | NPC285923 |
Remote Similarity | 0.6036 | NPC42483 |
Remote Similarity | 0.6036 | NPC20144 |
Remote Similarity | 0.6034 | NPC41333 |
Remote Similarity | 0.6033 | NPC64436 |
Remote Similarity | 0.6024 | NPC84911 |
Remote Similarity | 0.6024 | NPC105127 |
Remote Similarity | 0.6023 | NPC143872 |
Remote Similarity | 0.6023 | NPC299594 |
Remote Similarity | 0.6023 | NPC236711 |
Remote Similarity | 0.6022 | NPC91895 |
Remote Similarity | 0.6022 | NPC144114 |
Remote Similarity | 0.6013 | NPC84268 |
Remote Similarity | 0.6012 | NPC24678 |
Remote Similarity | 0.6012 | NPC105818 |
Remote Similarity | 0.6012 | NPC469779 |
Remote Similarity | 0.6012 | NPC469784 |
Remote Similarity | 0.6012 | NPC469768 |
Remote Similarity | 0.6012 | NPC469780 |
Remote Similarity | 0.6012 | NPC469783 |
Remote Similarity | 0.6012 | NPC324611 |
Remote Similarity | 0.6012 | NPC469767 |
Remote Similarity | 0.6012 | NPC469761 |
Remote Similarity | 0.6011 | NPC225018 |
Remote Similarity | 0.6011 | NPC133003 |
Remote Similarity | 0.6011 | NPC478185 |
Remote Similarity | 0.6011 | NPC469529 |
Remote Similarity | 0.6 | NPC34300 |
Remote Similarity | 0.6 | NPC11126 |
Remote Similarity | 0.6 | NPC248462 |
Remote Similarity | 0.6 | NPC478183 |
Remote Similarity | 0.6 | NPC120070 |
Remote Similarity | 0.599 | NPC469308 |
Remote Similarity | 0.5988 | NPC21605 |
Remote Similarity | 0.5988 | NPC207554 |
Remote Similarity | 0.5979 | NPC311858 |
Remote Similarity | 0.5977 | NPC117032 |
Remote Similarity | 0.5977 | NPC472260 |
Remote Similarity | 0.5976 | NPC469766 |
Remote Similarity | 0.597 | NPC71238 |
Remote Similarity | 0.5968 | NPC91179 |
Remote Similarity | 0.5965 | NPC159856 |
Remote Similarity | 0.5964 | NPC29886 |
Remote Similarity | 0.5964 | NPC261195 |
Remote Similarity | 0.5964 | NPC96102 |
Remote Similarity | 0.5959 | NPC188821 |
Remote Similarity | 0.5959 | NPC474180 |
Remote Similarity | 0.5955 | NPC470204 |
Remote Similarity | 0.5954 | NPC37548 |
Remote Similarity | 0.5954 | NPC187951 |
Remote Similarity | 0.5952 | NPC2823 |
Remote Similarity | 0.5949 | NPC329825 |
Remote Similarity | 0.5949 | NPC328683 |
Remote Similarity | 0.5949 | NPC283130 |
Remote Similarity | 0.5948 | NPC288232 |
Remote Similarity | 0.5943 | NPC200743 |
Remote Similarity | 0.5943 | NPC73952 |
Remote Similarity | 0.5943 | NPC469763 |
Remote Similarity | 0.5943 | NPC259644 |
Remote Similarity | 0.5943 | NPC469786 |
Remote Similarity | 0.5943 | NPC469765 |
Remote Similarity | 0.5943 | NPC138842 |
Remote Similarity | 0.5943 | NPC469760 |
Remote Similarity | 0.5943 | NPC25008 |
Remote Similarity | 0.5938 | NPC473763 |
Remote Similarity | 0.5938 | NPC117244 |
Remote Similarity | 0.5932 | NPC129721 |
Remote Similarity | 0.5928 | NPC314102 |
Remote Similarity | 0.5928 | NPC251722 |
Remote Similarity | 0.5928 | NPC83214 |
Remote Similarity | 0.5924 | NPC469938 |
Remote Similarity | 0.5924 | NPC215519 |
Remote Similarity | 0.5922 | NPC470203 |
Remote Similarity | 0.592 | NPC40070 |
Remote Similarity | 0.5918 | NPC474389 |
Remote Similarity | 0.5918 | NPC143516 |
Remote Similarity | 0.5917 | NPC115611 |
Remote Similarity | 0.5916 | NPC230805 |
Remote Similarity | 0.5915 | NPC82295 |
Remote Similarity | 0.5915 | NPC256893 |
Remote Similarity | 0.5915 | NPC475450 |
Remote Similarity | 0.5912 | NPC46358 |
Remote Similarity | 0.5909 | NPC211572 |
Remote Similarity | 0.5909 | NPC80597 |
Remote Similarity | 0.5909 | NPC212376 |
Remote Similarity | 0.5909 | NPC70922 |
Remote Similarity | 0.5909 | NPC75540 |
Remote Similarity | 0.5906 | NPC242556 |
Remote Similarity | 0.5906 | NPC76540 |
Remote Similarity | 0.5902 | NPC282247 |
Remote Similarity | 0.5902 | NPC89562 |
Remote Similarity | 0.5901 | NPC250361 |
Remote Similarity | 0.5897 | NPC162689 |
Remote Similarity | 0.5897 | NPC54102 |
Molecular Weight   | 245.15 |
ALogP   | 0.2881 |
MLogP   | 2.56 |
XLogP   | 4.29 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 42.16 |
RO5 Violation   | 0 |