Drug ID:   | NPD2670 |
Drug Name:   | Padimate O |
Molecular Formula:   | C17H27NO2 |
Canonical SMILES:   | CCCCC(COC(=O)c1ccc(cc1)N(C)C)CC |
Standard InCHI:   | InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3 |
Standard InCHIKey:   | WYWZRNAHINYAEF-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
High Similarity | 0.8939 | NPC314098 |
High Similarity | 0.8759 | NPC319645 |
Intermediate Similarity | 0.8273 | NPC173295 |
Intermediate Similarity | 0.8148 | NPC470343 |
Intermediate Similarity | 0.8148 | NPC472244 |
Intermediate Similarity | 0.8065 | NPC470971 |
Intermediate Similarity | 0.8042 | NPC242933 |
Intermediate Similarity | 0.8015 | NPC205946 |
Intermediate Similarity | 0.7923 | NPC57051 |
Intermediate Similarity | 0.7842 | NPC122235 |
Intermediate Similarity | 0.781 | NPC226794 |
Intermediate Similarity | 0.7778 | NPC150323 |
Intermediate Similarity | 0.7692 | NPC253476 |
Intermediate Similarity | 0.7671 | NPC472243 |
Intermediate Similarity | 0.7635 | NPC308197 |
Intermediate Similarity | 0.7589 | NPC150863 |
Intermediate Similarity | 0.7574 | NPC226143 |
Intermediate Similarity | 0.7535 | NPC280807 |
Intermediate Similarity | 0.7535 | NPC472245 |
Intermediate Similarity | 0.7535 | NPC314431 |
Intermediate Similarity | 0.7516 | NPC474058 |
Intermediate Similarity | 0.7516 | NPC314223 |
Intermediate Similarity | 0.75 | NPC242000 |
Intermediate Similarity | 0.7467 | NPC314186 |
Intermediate Similarity | 0.745 | NPC472241 |
Intermediate Similarity | 0.7447 | NPC314278 |
Intermediate Similarity | 0.7415 | NPC281104 |
Intermediate Similarity | 0.741 | NPC288305 |
Intermediate Similarity | 0.7368 | NPC478039 |
Intermediate Similarity | 0.7342 | NPC193410 |
Intermediate Similarity | 0.7324 | NPC250476 |
Intermediate Similarity | 0.7303 | NPC472242 |
Intermediate Similarity | 0.7296 | NPC248117 |
Intermediate Similarity | 0.7286 | NPC26285 |
Intermediate Similarity | 0.7278 | NPC123241 |
Intermediate Similarity | 0.7278 | NPC61013 |
Intermediate Similarity | 0.7267 | NPC43477 |
Intermediate Similarity | 0.7241 | NPC231382 |
Intermediate Similarity | 0.7188 | NPC146351 |
Intermediate Similarity | 0.716 | NPC299582 |
Intermediate Similarity | 0.7152 | NPC161827 |
Intermediate Similarity | 0.7152 | NPC191310 |
Intermediate Similarity | 0.7143 | NPC293458 |
Intermediate Similarity | 0.7143 | NPC253667 |
Intermediate Similarity | 0.7143 | NPC35510 |
Intermediate Similarity | 0.7122 | NPC229353 |
Intermediate Similarity | 0.7109 | NPC78701 |
Intermediate Similarity | 0.7109 | NPC225060 |
Intermediate Similarity | 0.7109 | NPC35448 |
Intermediate Similarity | 0.7081 | NPC93653 |
Intermediate Similarity | 0.7076 | NPC322621 |
Intermediate Similarity | 0.7073 | NPC167724 |
Intermediate Similarity | 0.7073 | NPC224970 |
Intermediate Similarity | 0.7073 | NPC223595 |
Intermediate Similarity | 0.7071 | NPC177684 |
Intermediate Similarity | 0.7071 | NPC291962 |
Intermediate Similarity | 0.7067 | NPC287358 |
Intermediate Similarity | 0.7066 | NPC84347 |
Intermediate Similarity | 0.7031 | NPC92754 |
Intermediate Similarity | 0.7031 | NPC276775 |
Intermediate Similarity | 0.7031 | NPC249912 |
Intermediate Similarity | 0.7024 | NPC186669 |
Intermediate Similarity | 0.7023 | NPC474365 |
Intermediate Similarity | 0.7023 | NPC301943 |
Intermediate Similarity | 0.7021 | NPC130931 |
Intermediate Similarity | 0.7021 | NPC112373 |
Intermediate Similarity | 0.7021 | NPC161956 |
Intermediate Similarity | 0.7021 | NPC258531 |
Intermediate Similarity | 0.7019 | NPC263709 |
Intermediate Similarity | 0.7019 | NPC310403 |
Intermediate Similarity | 0.7019 | NPC97380 |
Intermediate Similarity | 0.7019 | NPC148468 |
Intermediate Similarity | 0.7019 | NPC243673 |
Intermediate Similarity | 0.7019 | NPC63210 |
Intermediate Similarity | 0.7012 | NPC472114 |
Intermediate Similarity | 0.7012 | NPC472115 |
Intermediate Similarity | 0.7006 | NPC144691 |
Remote Similarity | 0.6988 | NPC249614 |
Remote Similarity | 0.6987 | NPC315829 |
Remote Similarity | 0.6982 | NPC321211 |
Remote Similarity | 0.6975 | NPC27904 |
Remote Similarity | 0.6964 | NPC264482 |
Remote Similarity | 0.6964 | NPC203202 |
Remote Similarity | 0.6948 | NPC478040 |
Remote Similarity | 0.6936 | NPC160381 |
Remote Similarity | 0.6923 | NPC325497 |
Remote Similarity | 0.6914 | NPC36495 |
Remote Similarity | 0.689 | NPC313757 |
Remote Similarity | 0.6886 | NPC318183 |
Remote Similarity | 0.6882 | NPC218594 |
Remote Similarity | 0.6882 | NPC99043 |
Remote Similarity | 0.6882 | NPC6974 |
Remote Similarity | 0.6875 | NPC130398 |
Remote Similarity | 0.687 | NPC70624 |
Remote Similarity | 0.6857 | NPC316405 |
Remote Similarity | 0.6853 | NPC257490 |
Remote Similarity | 0.6852 | NPC211525 |
Remote Similarity | 0.6852 | NPC153694 |
Remote Similarity | 0.6849 | NPC322433 |
Remote Similarity | 0.6848 | NPC52059 |
Remote Similarity | 0.6848 | NPC470069 |
Remote Similarity | 0.6842 | NPC38262 |
Remote Similarity | 0.6838 | NPC196246 |
Remote Similarity | 0.6838 | NPC214067 |
Remote Similarity | 0.6831 | NPC207971 |
Remote Similarity | 0.6829 | NPC199737 |
Remote Similarity | 0.6821 | NPC471742 |
Remote Similarity | 0.6818 | NPC45389 |
Remote Similarity | 0.68 | NPC21425 |
Remote Similarity | 0.6795 | NPC190945 |
Remote Similarity | 0.6794 | NPC118343 |
Remote Similarity | 0.6793 | NPC268077 |
Remote Similarity | 0.6791 | NPC269457 |
Remote Similarity | 0.6788 | NPC305912 |
Remote Similarity | 0.6788 | NPC1082 |
Remote Similarity | 0.6782 | NPC49184 |
Remote Similarity | 0.678 | NPC22476 |
Remote Similarity | 0.6774 | NPC301702 |
Remote Similarity | 0.677 | NPC478076 |
Remote Similarity | 0.677 | NPC107287 |
Remote Similarity | 0.6765 | NPC10251 |
Remote Similarity | 0.6765 | NPC469636 |
Remote Similarity | 0.6765 | NPC17417 |
Remote Similarity | 0.6763 | NPC470317 |
Remote Similarity | 0.6763 | NPC159963 |
Remote Similarity | 0.6746 | NPC73280 |
Remote Similarity | 0.6746 | NPC307640 |
Remote Similarity | 0.6744 | NPC85613 |
Remote Similarity | 0.6744 | NPC5167 |
Remote Similarity | 0.6742 | NPC42211 |
Remote Similarity | 0.674 | NPC71124 |
Remote Similarity | 0.6739 | NPC82899 |
Remote Similarity | 0.6739 | NPC270699 |
Remote Similarity | 0.6726 | NPC469915 |
Remote Similarity | 0.6724 | NPC97584 |
Remote Similarity | 0.6723 | NPC5630 |
Remote Similarity | 0.6715 | NPC93084 |
Remote Similarity | 0.6715 | NPC251854 |
Remote Similarity | 0.6707 | NPC471652 |
Remote Similarity | 0.6706 | NPC469726 |
Remote Similarity | 0.6706 | NPC329338 |
Remote Similarity | 0.6703 | NPC123395 |
Remote Similarity | 0.6692 | NPC188895 |
Remote Similarity | 0.6691 | NPC56493 |
Remote Similarity | 0.6691 | NPC128368 |
Remote Similarity | 0.669 | NPC39818 |
Remote Similarity | 0.6687 | NPC63370 |
Remote Similarity | 0.6687 | NPC36836 |
Remote Similarity | 0.6687 | NPC29285 |
Remote Similarity | 0.6687 | NPC204867 |
Remote Similarity | 0.6687 | NPC473329 |
Remote Similarity | 0.6685 | NPC25401 |
Remote Similarity | 0.6685 | NPC203628 |
Remote Similarity | 0.6667 | NPC225319 |
Remote Similarity | 0.6667 | NPC203925 |
Remote Similarity | 0.6667 | NPC21483 |
Remote Similarity | 0.6667 | NPC476198 |
Remote Similarity | 0.6667 | NPC279385 |
Remote Similarity | 0.6667 | NPC476003 |
Remote Similarity | 0.6667 | NPC179605 |
Remote Similarity | 0.6667 | NPC198205 |
Remote Similarity | 0.6648 | NPC194040 |
Remote Similarity | 0.6647 | NPC21752 |
Remote Similarity | 0.6647 | NPC476425 |
Remote Similarity | 0.6647 | NPC181138 |
Remote Similarity | 0.6647 | NPC210415 |
Remote Similarity | 0.6647 | NPC298851 |
Remote Similarity | 0.6647 | NPC276993 |
Remote Similarity | 0.6647 | NPC293255 |
Remote Similarity | 0.6647 | NPC177261 |
Remote Similarity | 0.6646 | NPC113946 |
Remote Similarity | 0.6645 | NPC266425 |
Remote Similarity | 0.6643 | NPC153053 |
Remote Similarity | 0.6642 | NPC474364 |
Remote Similarity | 0.663 | NPC232600 |
Remote Similarity | 0.663 | NPC303214 |
Remote Similarity | 0.6627 | NPC99632 |
Remote Similarity | 0.6627 | NPC282339 |
Remote Similarity | 0.6621 | NPC103292 |
Remote Similarity | 0.6618 | NPC119271 |
Remote Similarity | 0.6611 | NPC471825 |
Remote Similarity | 0.6611 | NPC254957 |
Remote Similarity | 0.661 | NPC14994 |
Remote Similarity | 0.661 | NPC473815 |
Remote Similarity | 0.6606 | NPC301163 |
Remote Similarity | 0.6599 | NPC317758 |
Remote Similarity | 0.6596 | NPC210092 |
Remote Similarity | 0.6594 | NPC174099 |
Remote Similarity | 0.6593 | NPC198390 |
Remote Similarity | 0.6592 | NPC1820 |
Remote Similarity | 0.6588 | NPC112336 |
Remote Similarity | 0.6588 | NPC474814 |
Remote Similarity | 0.6588 | NPC292265 |
Remote Similarity | 0.6587 | NPC189116 |
Remote Similarity | 0.6584 | NPC214239 |
Remote Similarity | 0.6581 | NPC181527 |
Remote Similarity | 0.6581 | NPC315224 |
Remote Similarity | 0.6568 | NPC470894 |
Remote Similarity | 0.6566 | NPC315368 |
Remote Similarity | 0.6566 | NPC320064 |
Molecular Weight   | 277.20 |
ALogP   | -0.6736 |
MLogP   | 3 |
XLogP   | 5.307 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 13 |
TPSA   | 29.54 |
RO5 Violation   | 1 |