Drug ID:   | NPD6717 |
Drug Name:   | |
Molecular Formula:   | C27H23N3O4 |
Canonical SMILES:   | OC[C@@]1(OC)CC2O[C@]1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CN=C2O |
Standard InCHI:   | InChI=1S/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19?,26-,27-/m0/s1 |
Standard InCHIKey:   | NMMGUHANGUWNBN-OGLOGDKOSA-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 |
---|---|---|
High Similarity | 0.9234 | NPC263937 |
High Similarity | 0.9234 | NPC94428 |
High Similarity | 0.9126 | NPC313884 |
High Similarity | 0.9126 | NPC98371 |
Intermediate Similarity | 0.8311 | NPC107836 |
Intermediate Similarity | 0.8168 | NPC195314 |
Intermediate Similarity | 0.7814 | NPC294620 |
Intermediate Similarity | 0.7741 | NPC1203 |
Intermediate Similarity | 0.7729 | NPC472207 |
Intermediate Similarity | 0.7724 | NPC279589 |
Intermediate Similarity | 0.7692 | NPC45048 |
Intermediate Similarity | 0.7512 | NPC473178 |
Intermediate Similarity | 0.7512 | NPC62510 |
Intermediate Similarity | 0.7455 | NPC31700 |
Intermediate Similarity | 0.7441 | NPC472842 |
Intermediate Similarity | 0.7418 | NPC32200 |
Intermediate Similarity | 0.7345 | NPC469312 |
Intermediate Similarity | 0.7345 | NPC41318 |
Intermediate Similarity | 0.734 | NPC56618 |
Intermediate Similarity | 0.7333 | NPC132642 |
Intermediate Similarity | 0.7301 | NPC471506 |
Intermediate Similarity | 0.7295 | NPC472846 |
Intermediate Similarity | 0.7293 | NPC183426 |
Intermediate Similarity | 0.7284 | NPC472843 |
Intermediate Similarity | 0.7282 | NPC314394 |
Intermediate Similarity | 0.7273 | NPC473177 |
Intermediate Similarity | 0.7249 | NPC227908 |
Intermediate Similarity | 0.7234 | NPC473565 |
Intermediate Similarity | 0.7217 | NPC476492 |
Intermediate Similarity | 0.7195 | NPC469589 |
Intermediate Similarity | 0.7192 | NPC158129 |
Intermediate Similarity | 0.7184 | NPC133261 |
Intermediate Similarity | 0.7167 | NPC132329 |
Intermediate Similarity | 0.7163 | NPC472444 |
Intermediate Similarity | 0.7136 | NPC211997 |
Intermediate Similarity | 0.7123 | NPC477135 |
Intermediate Similarity | 0.7101 | NPC81175 |
Intermediate Similarity | 0.7101 | NPC472443 |
Intermediate Similarity | 0.7095 | NPC473189 |
Intermediate Similarity | 0.7087 | NPC134586 |
Intermediate Similarity | 0.7087 | NPC472122 |
Intermediate Similarity | 0.7087 | NPC24594 |
Intermediate Similarity | 0.7081 | NPC19679 |
Intermediate Similarity | 0.7072 | NPC314957 |
Intermediate Similarity | 0.7066 | NPC471564 |
Intermediate Similarity | 0.7049 | NPC476493 |
Intermediate Similarity | 0.7037 | NPC205403 |
Intermediate Similarity | 0.7031 | NPC86078 |
Intermediate Similarity | 0.7022 | NPC94157 |
Intermediate Similarity | 0.7019 | NPC270009 |
Intermediate Similarity | 0.7012 | NPC160898 |
Intermediate Similarity | 0.7009 | NPC5145 |
Intermediate Similarity | 0.7009 | NPC472844 |
Intermediate Similarity | 0.7009 | NPC475422 |
Remote Similarity | 0.6996 | NPC473185 |
Remote Similarity | 0.6995 | NPC46413 |
Remote Similarity | 0.6986 | NPC472105 |
Remote Similarity | 0.6986 | NPC187827 |
Remote Similarity | 0.6982 | NPC475841 |
Remote Similarity | 0.6982 | NPC474145 |
Remote Similarity | 0.6975 | NPC473183 |
Remote Similarity | 0.6972 | NPC102008 |
Remote Similarity | 0.6972 | NPC212213 |
Remote Similarity | 0.6971 | NPC326575 |
Remote Similarity | 0.6963 | NPC95783 |
Remote Similarity | 0.6962 | NPC473184 |
Remote Similarity | 0.6943 | NPC469594 |
Remote Similarity | 0.6934 | NPC476319 |
Remote Similarity | 0.6927 | NPC474188 |
Remote Similarity | 0.6923 | NPC193761 |
Remote Similarity | 0.692 | NPC87755 |
Remote Similarity | 0.6919 | NPC472110 |
Remote Similarity | 0.6919 | NPC48938 |
Remote Similarity | 0.6919 | NPC472109 |
Remote Similarity | 0.6917 | NPC471782 |
Remote Similarity | 0.6917 | NPC471583 |
Remote Similarity | 0.6916 | NPC478074 |
Remote Similarity | 0.6916 | NPC469592 |
Remote Similarity | 0.6916 | NPC471080 |
Remote Similarity | 0.6904 | NPC285343 |
Remote Similarity | 0.6899 | NPC472845 |
Remote Similarity | 0.6895 | NPC149708 |
Remote Similarity | 0.6894 | NPC252251 |
Remote Similarity | 0.6894 | NPC253580 |
Remote Similarity | 0.6892 | NPC475774 |
Remote Similarity | 0.6883 | NPC131273 |
Remote Similarity | 0.6883 | NPC477533 |
Remote Similarity | 0.6883 | NPC473441 |
Remote Similarity | 0.6875 | NPC472586 |
Remote Similarity | 0.6875 | NPC329688 |
Remote Similarity | 0.6875 | NPC278540 |
Remote Similarity | 0.6875 | NPC189812 |
Remote Similarity | 0.6872 | NPC473180 |
Remote Similarity | 0.6872 | NPC311451 |
Remote Similarity | 0.6872 | NPC475778 |
Remote Similarity | 0.6872 | NPC284141 |
Remote Similarity | 0.6861 | NPC314648 |
Remote Similarity | 0.6856 | NPC472027 |
Remote Similarity | 0.6851 | NPC470126 |
Remote Similarity | 0.6849 | NPC473182 |
Remote Similarity | 0.6842 | NPC473757 |
Remote Similarity | 0.6835 | NPC477531 |
Remote Similarity | 0.683 | NPC472111 |
Remote Similarity | 0.6827 | NPC34508 |
Remote Similarity | 0.6826 | NPC312645 |
Remote Similarity | 0.6822 | NPC33949 |
Remote Similarity | 0.6818 | NPC239954 |
Remote Similarity | 0.6816 | NPC471891 |
Remote Similarity | 0.6809 | NPC202503 |
Remote Similarity | 0.68 | NPC473362 |
Remote Similarity | 0.68 | NPC166492 |
Remote Similarity | 0.6793 | NPC209174 |
Remote Similarity | 0.6789 | NPC198673 |
Remote Similarity | 0.6786 | NPC475070 |
Remote Similarity | 0.6786 | NPC470500 |
Remote Similarity | 0.6784 | NPC234999 |
Remote Similarity | 0.6784 | NPC288445 |
Remote Similarity | 0.6784 | NPC126066 |
Remote Similarity | 0.6784 | NPC199667 |
Remote Similarity | 0.6783 | NPC251936 |
Remote Similarity | 0.6781 | NPC477532 |
Remote Similarity | 0.6778 | NPC220852 |
Remote Similarity | 0.6777 | NPC477861 |
Remote Similarity | 0.6776 | NPC15102 |
Remote Similarity | 0.6765 | NPC475253 |
Remote Similarity | 0.6763 | NPC28945 |
Remote Similarity | 0.6761 | NPC472108 |
Remote Similarity | 0.6761 | NPC139291 |
Remote Similarity | 0.6759 | NPC128751 |
Remote Similarity | 0.6759 | NPC246700 |
Remote Similarity | 0.6754 | NPC208284 |
Remote Similarity | 0.6753 | NPC472285 |
Remote Similarity | 0.6752 | NPC162748 |
Remote Similarity | 0.6749 | NPC217554 |
Remote Similarity | 0.6746 | NPC313791 |
Remote Similarity | 0.6745 | NPC15840 |
Remote Similarity | 0.6742 | NPC168911 |
Remote Similarity | 0.674 | NPC473181 |
Remote Similarity | 0.6739 | NPC478157 |
Remote Similarity | 0.6736 | NPC11408 |
Remote Similarity | 0.6731 | NPC280548 |
Remote Similarity | 0.6729 | NPC284678 |
Remote Similarity | 0.6729 | NPC472294 |
Remote Similarity | 0.6728 | NPC469497 |
Remote Similarity | 0.6728 | NPC106833 |
Remote Similarity | 0.6727 | NPC231342 |
Remote Similarity | 0.6726 | NPC53344 |
Remote Similarity | 0.6726 | NPC314297 |
Remote Similarity | 0.6726 | NPC315545 |
Remote Similarity | 0.6712 | NPC79293 |
Remote Similarity | 0.6712 | NPC279401 |
Remote Similarity | 0.6711 | NPC470505 |
Remote Similarity | 0.6711 | NPC314834 |
Remote Similarity | 0.6709 | NPC6215 |
Remote Similarity | 0.6709 | NPC110151 |
Remote Similarity | 0.6709 | NPC470873 |
Remote Similarity | 0.6699 | NPC126492 |
Remote Similarity | 0.6699 | NPC476118 |
Remote Similarity | 0.6698 | NPC188387 |
Remote Similarity | 0.6698 | NPC163421 |
Remote Similarity | 0.6697 | NPC153042 |
Remote Similarity | 0.6697 | NPC229332 |
Remote Similarity | 0.6696 | NPC61637 |
Remote Similarity | 0.6696 | NPC470931 |
Remote Similarity | 0.6696 | NPC89508 |
Remote Similarity | 0.6695 | NPC242446 |
Remote Similarity | 0.6695 | NPC475476 |
Remote Similarity | 0.6695 | NPC476818 |
Remote Similarity | 0.6695 | NPC473179 |
Remote Similarity | 0.6683 | NPC81229 |
Remote Similarity | 0.6683 | NPC317430 |
Remote Similarity | 0.6683 | NPC255229 |
Remote Similarity | 0.6682 | NPC203754 |
Remote Similarity | 0.6682 | NPC472104 |
Remote Similarity | 0.6682 | NPC150048 |
Remote Similarity | 0.6682 | NPC249040 |
Remote Similarity | 0.6682 | NPC121903 |
Remote Similarity | 0.6681 | NPC313796 |
Remote Similarity | 0.6681 | NPC314552 |
Remote Similarity | 0.6681 | NPC304926 |
Remote Similarity | 0.6681 | NPC476041 |
Remote Similarity | 0.6681 | NPC314855 |
Remote Similarity | 0.6681 | NPC313345 |
Remote Similarity | 0.6681 | NPC315638 |
Remote Similarity | 0.6681 | NPC304183 |
Remote Similarity | 0.6681 | NPC476997 |
Remote Similarity | 0.6681 | NPC476106 |
Remote Similarity | 0.6667 | NPC476116 |
Remote Similarity | 0.6667 | NPC472434 |
Remote Similarity | 0.6667 | NPC160527 |
Remote Similarity | 0.6667 | NPC223427 |
Remote Similarity | 0.6667 | NPC314573 |
Remote Similarity | 0.6667 | NPC473650 |
Remote Similarity | 0.6667 | NPC478032 |
Remote Similarity | 0.6667 | NPC469743 |
Remote Similarity | 0.6667 | NPC470508 |
Remote Similarity | 0.6667 | NPC471294 |
Remote Similarity | 0.6667 | NPC250835 |
Remote Similarity | 0.6653 | NPC94541 |
Remote Similarity | 0.6653 | NPC473806 |
Molecular Weight   | 453.17 |
ALogP   | -1.2918 |
MLogP   | 3.66 |
XLogP   | 3.985 |
HDA   | 7 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 81.14 |
RO5 Violation   | 0 |