Drug ID:   | NPD5723 |
Drug Name:   | |
Molecular Formula:   | C23H32N2O3 |
Canonical SMILES:   | COC(c1ccccc1)CN1CCN(CC1)CC(C(c1ccccc1)OC)O |
Standard InCHI:   | InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3 |
Standard InCHIKey:   | VSTNNAYSCJQCQI-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.8362 | NPC65855 |
Intermediate Similarity | 0.8362 | NPC292758 |
Intermediate Similarity | 0.7982 | NPC316797 |
Intermediate Similarity | 0.7826 | NPC228400 |
Intermediate Similarity | 0.7826 | NPC214200 |
Intermediate Similarity | 0.775 | NPC24777 |
Intermediate Similarity | 0.7674 | NPC307020 |
Intermediate Similarity | 0.75 | NPC474544 |
Intermediate Similarity | 0.75 | NPC1986 |
Intermediate Similarity | 0.7458 | NPC327226 |
Intermediate Similarity | 0.7424 | NPC65310 |
Intermediate Similarity | 0.7405 | NPC285394 |
Intermediate Similarity | 0.7339 | NPC269340 |
Intermediate Similarity | 0.7333 | NPC147000 |
Intermediate Similarity | 0.7333 | NPC150254 |
Intermediate Similarity | 0.7333 | NPC304761 |
Intermediate Similarity | 0.7333 | NPC226778 |
Intermediate Similarity | 0.7313 | NPC469666 |
Intermediate Similarity | 0.7273 | NPC211551 |
Intermediate Similarity | 0.7244 | NPC101139 |
Intermediate Similarity | 0.7231 | NPC321133 |
Intermediate Similarity | 0.7154 | NPC14950 |
Intermediate Similarity | 0.7113 | NPC83289 |
Intermediate Similarity | 0.7113 | NPC189724 |
Intermediate Similarity | 0.7113 | NPC212850 |
Intermediate Similarity | 0.7099 | NPC326232 |
Intermediate Similarity | 0.7099 | NPC476183 |
Intermediate Similarity | 0.7094 | NPC58674 |
Intermediate Similarity | 0.7094 | NPC20142 |
Intermediate Similarity | 0.7094 | NPC215351 |
Intermediate Similarity | 0.709 | NPC95733 |
Intermediate Similarity | 0.709 | NPC62101 |
Intermediate Similarity | 0.709 | NPC474847 |
Intermediate Similarity | 0.7071 | NPC127741 |
Intermediate Similarity | 0.7059 | NPC303611 |
Intermediate Similarity | 0.7059 | NPC226096 |
Intermediate Similarity | 0.7059 | NPC164514 |
Intermediate Similarity | 0.7059 | NPC290515 |
Intermediate Similarity | 0.7059 | NPC108606 |
Intermediate Similarity | 0.7055 | NPC245974 |
Intermediate Similarity | 0.7045 | NPC476184 |
Intermediate Similarity | 0.7045 | NPC476281 |
Intermediate Similarity | 0.7037 | NPC141739 |
Intermediate Similarity | 0.7037 | NPC320242 |
Intermediate Similarity | 0.7037 | NPC136112 |
Intermediate Similarity | 0.7037 | NPC29477 |
Intermediate Similarity | 0.7034 | NPC247298 |
Intermediate Similarity | 0.7015 | NPC211218 |
Remote Similarity | 0.6978 | NPC313663 |
Remote Similarity | 0.6978 | NPC247018 |
Remote Similarity | 0.6978 | NPC307123 |
Remote Similarity | 0.6978 | NPC97870 |
Remote Similarity | 0.6972 | NPC231163 |
Remote Similarity | 0.6972 | NPC318591 |
Remote Similarity | 0.6966 | NPC178466 |
Remote Similarity | 0.6966 | NPC63628 |
Remote Similarity | 0.6944 | NPC204546 |
Remote Similarity | 0.694 | NPC476278 |
Remote Similarity | 0.6911 | NPC224610 |
Remote Similarity | 0.6911 | NPC88267 |
Remote Similarity | 0.6911 | NPC113326 |
Remote Similarity | 0.6911 | NPC194390 |
Remote Similarity | 0.6906 | NPC246079 |
Remote Similarity | 0.6906 | NPC257390 |
Remote Similarity | 0.6894 | NPC43275 |
Remote Similarity | 0.6889 | NPC476260 |
Remote Similarity | 0.6889 | NPC476241 |
Remote Similarity | 0.6879 | NPC9687 |
Remote Similarity | 0.6879 | NPC474855 |
Remote Similarity | 0.6879 | NPC273907 |
Remote Similarity | 0.6879 | NPC151706 |
Remote Similarity | 0.6879 | NPC90194 |
Remote Similarity | 0.6879 | NPC79465 |
Remote Similarity | 0.6879 | NPC293377 |
Remote Similarity | 0.6879 | NPC475598 |
Remote Similarity | 0.6879 | NPC260045 |
Remote Similarity | 0.6879 | NPC76785 |
Remote Similarity | 0.6879 | NPC476102 |
Remote Similarity | 0.6879 | NPC475318 |
Remote Similarity | 0.6879 | NPC49577 |
Remote Similarity | 0.6879 | NPC474787 |
Remote Similarity | 0.6879 | NPC118099 |
Remote Similarity | 0.6879 | NPC474811 |
Remote Similarity | 0.6875 | NPC265002 |
Remote Similarity | 0.687 | NPC266389 |
Remote Similarity | 0.687 | NPC216605 |
Remote Similarity | 0.687 | NPC122245 |
Remote Similarity | 0.6866 | NPC26285 |
Remote Similarity | 0.6861 | NPC218323 |
Remote Similarity | 0.6853 | NPC41473 |
Remote Similarity | 0.6853 | NPC312770 |
Remote Similarity | 0.6853 | NPC160607 |
Remote Similarity | 0.6853 | NPC204848 |
Remote Similarity | 0.6853 | NPC193528 |
Remote Similarity | 0.6853 | NPC14600 |
Remote Similarity | 0.685 | NPC30563 |
Remote Similarity | 0.6846 | NPC213 |
Remote Similarity | 0.6846 | NPC10286 |
Remote Similarity | 0.6838 | NPC476125 |
Remote Similarity | 0.6838 | NPC476179 |
Remote Similarity | 0.6833 | NPC33168 |
Remote Similarity | 0.6822 | NPC120217 |
Remote Similarity | 0.6806 | NPC299583 |
Remote Similarity | 0.6803 | NPC135121 |
Remote Similarity | 0.68 | NPC477565 |
Remote Similarity | 0.68 | NPC103379 |
Remote Similarity | 0.68 | NPC474376 |
Remote Similarity | 0.68 | NPC475203 |
Remote Similarity | 0.68 | NPC472316 |
Remote Similarity | 0.68 | NPC472315 |
Remote Similarity | 0.6797 | NPC234376 |
Remote Similarity | 0.6794 | NPC473556 |
Remote Similarity | 0.6794 | NPC470544 |
Remote Similarity | 0.6794 | NPC301651 |
Remote Similarity | 0.6791 | NPC316896 |
Remote Similarity | 0.6781 | NPC201244 |
Remote Similarity | 0.6781 | NPC477217 |
Remote Similarity | 0.6779 | NPC321505 |
Remote Similarity | 0.6779 | NPC191376 |
Remote Similarity | 0.6779 | NPC115144 |
Remote Similarity | 0.6779 | NPC476151 |
Remote Similarity | 0.6779 | NPC179825 |
Remote Similarity | 0.6779 | NPC277857 |
Remote Similarity | 0.6772 | NPC276061 |
Remote Similarity | 0.6772 | NPC329717 |
Remote Similarity | 0.6772 | NPC474148 |
Remote Similarity | 0.6765 | NPC255253 |
Remote Similarity | 0.6757 | NPC185838 |
Remote Similarity | 0.6755 | NPC274026 |
Remote Similarity | 0.6752 | NPC172128 |
Remote Similarity | 0.675 | NPC473354 |
Remote Similarity | 0.6748 | NPC60373 |
Remote Similarity | 0.6748 | NPC154905 |
Remote Similarity | 0.6742 | NPC470545 |
Remote Similarity | 0.6742 | NPC137096 |
Remote Similarity | 0.6741 | NPC84281 |
Remote Similarity | 0.6741 | NPC317474 |
Remote Similarity | 0.6741 | NPC252878 |
Remote Similarity | 0.6741 | NPC169485 |
Remote Similarity | 0.6741 | NPC213126 |
Remote Similarity | 0.6741 | NPC291027 |
Remote Similarity | 0.6738 | NPC118419 |
Remote Similarity | 0.6733 | NPC147390 |
Remote Similarity | 0.6733 | NPC476571 |
Remote Similarity | 0.6733 | NPC246587 |
Remote Similarity | 0.6733 | NPC24233 |
Remote Similarity | 0.6733 | NPC135538 |
Remote Similarity | 0.6733 | NPC428 |
Remote Similarity | 0.672 | NPC233396 |
Remote Similarity | 0.672 | NPC37714 |
Remote Similarity | 0.672 | NPC152384 |
Remote Similarity | 0.672 | NPC154899 |
Remote Similarity | 0.6716 | NPC263835 |
Remote Similarity | 0.6715 | NPC4974 |
Remote Similarity | 0.6708 | NPC50016 |
Remote Similarity | 0.6694 | NPC311242 |
Remote Similarity | 0.6692 | NPC470546 |
Remote Similarity | 0.6691 | NPC40488 |
Remote Similarity | 0.6691 | NPC172403 |
Remote Similarity | 0.6691 | NPC471315 |
Remote Similarity | 0.6691 | NPC46427 |
Remote Similarity | 0.6691 | NPC471314 |
Remote Similarity | 0.669 | NPC231572 |
Remote Similarity | 0.669 | NPC132847 |
Remote Similarity | 0.6688 | NPC254700 |
Remote Similarity | 0.6687 | NPC273755 |
Remote Similarity | 0.6667 | NPC167944 |
Remote Similarity | 0.6667 | NPC231884 |
Remote Similarity | 0.6667 | NPC471051 |
Remote Similarity | 0.6667 | NPC471053 |
Remote Similarity | 0.6667 | NPC473922 |
Remote Similarity | 0.6667 | NPC473491 |
Remote Similarity | 0.6667 | NPC136962 |
Remote Similarity | 0.6667 | NPC92623 |
Remote Similarity | 0.6667 | NPC114102 |
Remote Similarity | 0.6667 | NPC316906 |
Remote Similarity | 0.6667 | NPC266741 |
Remote Similarity | 0.6667 | NPC289381 |
Remote Similarity | 0.6667 | NPC471052 |
Remote Similarity | 0.6667 | NPC82963 |
Remote Similarity | 0.6667 | NPC135464 |
Remote Similarity | 0.6667 | NPC92191 |
Remote Similarity | 0.6667 | NPC42793 |
Remote Similarity | 0.6667 | NPC82285 |
Remote Similarity | 0.6667 | NPC40234 |
Remote Similarity | 0.6667 | NPC77992 |
Remote Similarity | 0.6667 | NPC155847 |
Remote Similarity | 0.6667 | NPC304538 |
Remote Similarity | 0.6667 | NPC59028 |
Remote Similarity | 0.6667 | NPC133011 |
Remote Similarity | 0.6646 | NPC107938 |
Remote Similarity | 0.6646 | NPC294516 |
Remote Similarity | 0.6646 | NPC233650 |
Remote Similarity | 0.6645 | NPC147091 |
Remote Similarity | 0.6644 | NPC9373 |
Remote Similarity | 0.6644 | NPC168861 |
Remote Similarity | 0.6644 | NPC314682 |
Remote Similarity | 0.6643 | NPC69496 |
Remote Similarity | 0.6643 | NPC155838 |
Remote Similarity | 0.6642 | NPC328267 |
TTD   | DIB005457 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 384.24 |
ALogP   | -0.6191 |
MLogP   | 3.44 |
XLogP   | 4.544 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 12 |
TPSA   | 45.17 |
RO5 Violation   | 0 |