Drug ID:   | NPD6887 |
Drug Name:   | |
Molecular Formula:   | C27H37N5O2 |
Canonical SMILES:   | CCN(CCCCC1CCN(CC1)CC(=O)N1c2ccccc2C(=Nc2c1nccc2)O)CC |
Standard InCHI:   | InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34) |
Standard InCHIKey:   | BCUGCHZRMKTPMU-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 | 0.7211 | NPC150048 |
Intermediate Similarity | 0.7211 | NPC203754 |
Intermediate Similarity | 0.7204 | NPC471178 |
Intermediate Similarity | 0.7194 | NPC472289 |
Intermediate Similarity | 0.7189 | NPC59779 |
Intermediate Similarity | 0.7189 | NPC471177 |
Intermediate Similarity | 0.7189 | NPC124542 |
Intermediate Similarity | 0.7181 | NPC164664 |
Intermediate Similarity | 0.7164 | NPC212213 |
Intermediate Similarity | 0.7143 | NPC476686 |
Intermediate Similarity | 0.7143 | NPC105758 |
Intermediate Similarity | 0.7143 | NPC476688 |
Intermediate Similarity | 0.711 | NPC116622 |
Intermediate Similarity | 0.7109 | NPC147983 |
Intermediate Similarity | 0.7109 | NPC177996 |
Intermediate Similarity | 0.7068 | NPC469938 |
Intermediate Similarity | 0.7049 | NPC471132 |
Intermediate Similarity | 0.7037 | NPC278874 |
Intermediate Similarity | 0.7005 | NPC94752 |
Intermediate Similarity | 0.7 | NPC242923 |
Remote Similarity | 0.6995 | NPC239954 |
Remote Similarity | 0.6965 | NPC198673 |
Remote Similarity | 0.6952 | NPC25899 |
Remote Similarity | 0.695 | NPC117244 |
Remote Similarity | 0.695 | NPC473763 |
Remote Similarity | 0.6932 | NPC29702 |
Remote Similarity | 0.6931 | NPC471130 |
Remote Similarity | 0.6927 | NPC208060 |
Remote Similarity | 0.6923 | NPC16659 |
Remote Similarity | 0.6923 | NPC24864 |
Remote Similarity | 0.6919 | NPC54981 |
Remote Similarity | 0.6915 | NPC88970 |
Remote Similarity | 0.6915 | NPC224632 |
Remote Similarity | 0.6912 | NPC474916 |
Remote Similarity | 0.6912 | NPC168911 |
Remote Similarity | 0.6908 | NPC200836 |
Remote Similarity | 0.6908 | NPC53144 |
Remote Similarity | 0.6895 | NPC98187 |
Remote Similarity | 0.6891 | NPC317054 |
Remote Similarity | 0.6888 | NPC477891 |
Remote Similarity | 0.6887 | NPC471603 |
Remote Similarity | 0.6885 | NPC288445 |
Remote Similarity | 0.6878 | NPC478182 |
Remote Similarity | 0.6872 | NPC265710 |
Remote Similarity | 0.686 | NPC211813 |
Remote Similarity | 0.686 | NPC471311 |
Remote Similarity | 0.686 | NPC471313 |
Remote Similarity | 0.686 | NPC212125 |
Remote Similarity | 0.6854 | NPC282247 |
Remote Similarity | 0.6853 | NPC48938 |
Remote Similarity | 0.6825 | NPC48192 |
Remote Similarity | 0.6802 | NPC69843 |
Remote Similarity | 0.6802 | NPC144114 |
Remote Similarity | 0.6794 | NPC473376 |
Remote Similarity | 0.6789 | NPC474896 |
Remote Similarity | 0.6789 | NPC97367 |
Remote Similarity | 0.6786 | NPC248462 |
Remote Similarity | 0.6779 | NPC57398 |
Remote Similarity | 0.6777 | NPC71238 |
Remote Similarity | 0.6776 | NPC254798 |
Remote Similarity | 0.6772 | NPC131718 |
Remote Similarity | 0.6766 | NPC213629 |
Remote Similarity | 0.6758 | NPC471323 |
Remote Similarity | 0.6758 | NPC31097 |
Remote Similarity | 0.6757 | NPC40070 |
Remote Similarity | 0.6755 | NPC129721 |
Remote Similarity | 0.6748 | NPC265576 |
Remote Similarity | 0.6743 | NPC272174 |
Remote Similarity | 0.6742 | NPC2497 |
Remote Similarity | 0.6742 | NPC328029 |
Remote Similarity | 0.6735 | NPC326575 |
Remote Similarity | 0.6735 | NPC473380 |
Remote Similarity | 0.6735 | NPC240088 |
Remote Similarity | 0.6726 | NPC470730 |
Remote Similarity | 0.6726 | NPC477175 |
Remote Similarity | 0.672 | NPC293487 |
Remote Similarity | 0.6719 | NPC56233 |
Remote Similarity | 0.6719 | NPC41717 |
Remote Similarity | 0.6715 | NPC313421 |
Remote Similarity | 0.6714 | NPC85273 |
Remote Similarity | 0.6702 | NPC476118 |
Remote Similarity | 0.6702 | NPC162268 |
Remote Similarity | 0.6702 | NPC473057 |
Remote Similarity | 0.6699 | NPC328318 |
Remote Similarity | 0.6699 | NPC328596 |
Remote Similarity | 0.6696 | NPC475969 |
Remote Similarity | 0.6696 | NPC475859 |
Remote Similarity | 0.6667 | NPC324149 |
Remote Similarity | 0.6667 | NPC306397 |
Remote Similarity | 0.6667 | NPC165743 |
Remote Similarity | 0.6667 | NPC103687 |
Remote Similarity | 0.6667 | NPC132631 |
Remote Similarity | 0.6652 | NPC171393 |
Remote Similarity | 0.6652 | NPC470729 |
Remote Similarity | 0.6652 | NPC477176 |
Remote Similarity | 0.6652 | NPC130570 |
Remote Similarity | 0.6652 | NPC64216 |
Remote Similarity | 0.6652 | NPC295452 |
Remote Similarity | 0.6651 | NPC243850 |
Remote Similarity | 0.665 | NPC228835 |
Remote Similarity | 0.6636 | NPC470731 |
Remote Similarity | 0.6634 | NPC254762 |
Remote Similarity | 0.6632 | NPC478183 |
Remote Similarity | 0.6632 | NPC49217 |
Remote Similarity | 0.6622 | NPC474877 |
Remote Similarity | 0.6621 | NPC315804 |
Remote Similarity | 0.6621 | NPC308906 |
Remote Similarity | 0.6621 | NPC313804 |
Remote Similarity | 0.6619 | NPC182507 |
Remote Similarity | 0.6615 | NPC478184 |
Remote Similarity | 0.6615 | NPC158129 |
Remote Similarity | 0.6615 | NPC102423 |
Remote Similarity | 0.661 | NPC471322 |
Remote Similarity | 0.661 | NPC256893 |
Remote Similarity | 0.6605 | NPC320968 |
Remote Similarity | 0.6604 | NPC317373 |
Remote Similarity | 0.6604 | NPC475288 |
Remote Similarity | 0.66 | NPC243058 |
Remote Similarity | 0.6596 | NPC73952 |
Remote Similarity | 0.6596 | NPC469786 |
Remote Similarity | 0.6596 | NPC469765 |
Remote Similarity | 0.6596 | NPC259644 |
Remote Similarity | 0.6596 | NPC25008 |
Remote Similarity | 0.6596 | NPC469760 |
Remote Similarity | 0.6596 | NPC469763 |
Remote Similarity | 0.6587 | NPC171317 |
Remote Similarity | 0.6587 | NPC473640 |
Remote Similarity | 0.6583 | NPC15840 |
Remote Similarity | 0.6582 | NPC313791 |
Remote Similarity | 0.658 | NPC477975 |
Remote Similarity | 0.6579 | NPC212742 |
Remote Similarity | 0.6571 | NPC165370 |
Remote Similarity | 0.6567 | NPC207851 |
Remote Similarity | 0.6567 | NPC284678 |
Remote Similarity | 0.6567 | NPC203635 |
Remote Similarity | 0.6567 | NPC285923 |
Remote Similarity | 0.6566 | NPC64436 |
Remote Similarity | 0.6564 | NPC473764 |
Remote Similarity | 0.6564 | NPC32534 |
Remote Similarity | 0.6564 | NPC314940 |
Remote Similarity | 0.6564 | NPC91895 |
Remote Similarity | 0.6562 | NPC107160 |
Remote Similarity | 0.6562 | NPC470203 |
Remote Similarity | 0.6562 | NPC186351 |
Remote Similarity | 0.6562 | NPC478185 |
Remote Similarity | 0.6561 | NPC211572 |
Remote Similarity | 0.6561 | NPC80597 |
Remote Similarity | 0.6561 | NPC70922 |
Remote Similarity | 0.6561 | NPC120070 |
Remote Similarity | 0.6561 | NPC212376 |
Remote Similarity | 0.6561 | NPC75540 |
Remote Similarity | 0.656 | NPC470732 |
Remote Similarity | 0.6559 | NPC470111 |
Remote Similarity | 0.6557 | NPC214827 |
Remote Similarity | 0.6557 | NPC47059 |
Remote Similarity | 0.6557 | NPC165349 |
Remote Similarity | 0.6557 | NPC264166 |
Remote Similarity | 0.6557 | NPC274291 |
Remote Similarity | 0.6557 | NPC327592 |
Remote Similarity | 0.6557 | NPC118832 |
Remote Similarity | 0.6557 | NPC475070 |
Remote Similarity | 0.6557 | NPC314930 |
Remote Similarity | 0.6557 | NPC329708 |
Remote Similarity | 0.6555 | NPC293917 |
Remote Similarity | 0.6554 | NPC476689 |
Remote Similarity | 0.6554 | NPC476685 |
Remote Similarity | 0.6554 | NPC476687 |
Remote Similarity | 0.6549 | NPC477177 |
Remote Similarity | 0.6546 | NPC108469 |
Remote Similarity | 0.6546 | NPC160105 |
Remote Similarity | 0.6544 | NPC54744 |
Remote Similarity | 0.6542 | NPC287208 |
Remote Similarity | 0.6538 | NPC472541 |
Remote Similarity | 0.6538 | NPC472542 |
Remote Similarity | 0.6532 | NPC253987 |
Remote Similarity | 0.653 | NPC476041 |
Remote Similarity | 0.653 | NPC304926 |
Remote Similarity | 0.6528 | NPC311276 |
Remote Similarity | 0.652 | NPC89987 |
Remote Similarity | 0.6519 | NPC314102 |
Remote Similarity | 0.6519 | NPC471312 |
Remote Similarity | 0.6519 | NPC251722 |
Remote Similarity | 0.6517 | NPC324611 |
Remote Similarity | 0.6515 | NPC472122 |
Remote Similarity | 0.6515 | NPC24594 |
Remote Similarity | 0.6513 | NPC317430 |
Remote Similarity | 0.6512 | NPC174672 |
Remote Similarity | 0.6512 | NPC174758 |
Remote Similarity | 0.651 | NPC470204 |
Remote Similarity | 0.6502 | NPC40455 |
Remote Similarity | 0.6502 | NPC90415 |
Remote Similarity | 0.6502 | NPC478077 |
Remote Similarity | 0.6498 | NPC153980 |
Remote Similarity | 0.6498 | NPC471193 |
Remote Similarity | 0.6498 | NPC6865 |
Remote Similarity | 0.6498 | NPC471194 |
Remote Similarity | 0.6497 | NPC477976 |
Remote Similarity | 0.6497 | NPC314603 |
Remote Similarity | 0.6495 | NPC166492 |
Remote Similarity | 0.6495 | NPC473362 |
Molecular Weight   | 463.29 |
ALogP   | -1.3541 |
MLogP   | 3.66 |
XLogP   | 5.228 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 72.27 |
RO5 Violation   | 1 |