Drug Information

Drug ID:  NPD3454
Drug Name:  Osemozotan
Molecular Formula:  C19H21NO5
Canonical SMILES:  C(NC[C@H]1COc2c(O1)cccc2)CCOc1ccc2c(c1)OCO2
Standard InCHI:  InChI=1S/C19H21NO5/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17/h1-2,4-7,10,15,20H,3,8-9,11-13H2/t15-/m0/s1
Standard InCHIKey:  MEEQBDCQPIZMLY-HNNXBMFYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3454

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.


  Similar Natural Products

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 0.7801 NPC247146
Intermediate Similarity 0.777 NPC25817
Intermediate Similarity 0.7698 NPC217854
Intermediate Similarity 0.766 NPC298845
Intermediate Similarity 0.766 NPC171533
Intermediate Similarity 0.7609 NPC276195
Intermediate Similarity 0.7606 NPC37074
Intermediate Similarity 0.7606 NPC469621
Intermediate Similarity 0.7535 NPC189589
Intermediate Similarity 0.7535 NPC469622
Intermediate Similarity 0.7518 NPC221090
Intermediate Similarity 0.75 NPC152722
Intermediate Similarity 0.7448 NPC60756
Intermediate Similarity 0.7447 NPC192810
Intermediate Similarity 0.7444 NPC95977
Intermediate Similarity 0.7397 NPC469698
Intermediate Similarity 0.7397 NPC473412
Intermediate Similarity 0.7397 NPC287780
Intermediate Similarity 0.7391 NPC228907
Intermediate Similarity 0.7368 NPC174522
Intermediate Similarity 0.7368 NPC80326
Intermediate Similarity 0.7329 NPC208769
Intermediate Similarity 0.7325 NPC474560
Intermediate Similarity 0.7303 NPC58137
Intermediate Similarity 0.7303 NPC300798
Intermediate Similarity 0.7297 NPC60982
Intermediate Similarity 0.7267 NPC329640
Intermediate Similarity 0.7194 NPC9248
Intermediate Similarity 0.7185 NPC247871
Intermediate Similarity 0.7171 NPC292487
Intermediate Similarity 0.7152 NPC172818
Intermediate Similarity 0.7152 NPC25695
Intermediate Similarity 0.7143 NPC311057
Intermediate Similarity 0.7143 NPC472562
Intermediate Similarity 0.7133 NPC474478
Intermediate Similarity 0.7115 NPC42716
Intermediate Similarity 0.7115 NPC474749
Intermediate Similarity 0.7115 NPC11422
Intermediate Similarity 0.7115 NPC205316
Intermediate Similarity 0.7115 NPC178014
Intermediate Similarity 0.7105 NPC59324
Intermediate Similarity 0.7105 NPC65530
Intermediate Similarity 0.7101 NPC142319
Intermediate Similarity 0.7097 NPC252169
Intermediate Similarity 0.7092 NPC214289
Intermediate Similarity 0.7071 NPC76915
Intermediate Similarity 0.7071 NPC151617
Intermediate Similarity 0.707 NPC162193
Intermediate Similarity 0.7067 NPC266848
Intermediate Similarity 0.7067 NPC136750
Intermediate Similarity 0.7059 NPC98777
Intermediate Similarity 0.7059 NPC212770
Intermediate Similarity 0.7048 NPC474858
Intermediate Similarity 0.7048 NPC329717
Intermediate Similarity 0.7039 NPC104167
Intermediate Similarity 0.7039 NPC242028
Intermediate Similarity 0.7039 NPC203230
Intermediate Similarity 0.7027 NPC218003
Intermediate Similarity 0.7014 NPC105147
Intermediate Similarity 0.7014 NPC228875
Intermediate Similarity 0.7014 NPC126216
Intermediate Similarity 0.7006 NPC307466
Intermediate Similarity 0.7 NPC261812
Intermediate Similarity 0.7 NPC162093
Intermediate Similarity 0.7 NPC72046
Intermediate Similarity 0.7 NPC238140
Intermediate Similarity 0.7 NPC65183
Remote Similarity 0.6993 NPC205850
Remote Similarity 0.6987 NPC81638
Remote Similarity 0.6981 NPC166584
Remote Similarity 0.6981 NPC71726
Remote Similarity 0.6981 NPC301961
Remote Similarity 0.6974 NPC470236
Remote Similarity 0.6974 NPC189474
Remote Similarity 0.6968 NPC469661
Remote Similarity 0.6962 NPC226540
Remote Similarity 0.6959 NPC31707
Remote Similarity 0.6954 NPC49074
Remote Similarity 0.6954 NPC215037
Remote Similarity 0.6944 NPC57751
Remote Similarity 0.6937 NPC240521
Remote Similarity 0.6933 NPC192255
Remote Similarity 0.6933 NPC121376
Remote Similarity 0.6928 NPC164857
Remote Similarity 0.6923 NPC475084
Remote Similarity 0.6923 NPC469559
Remote Similarity 0.6923 NPC189115
Remote Similarity 0.6918 NPC39657
Remote Similarity 0.6918 NPC227902
Remote Similarity 0.6908 NPC31530
Remote Similarity 0.6903 NPC27495
Remote Similarity 0.6899 NPC473934
Remote Similarity 0.6897 NPC261661
Remote Similarity 0.6893 NPC281581
Remote Similarity 0.6889 NPC41594
Remote Similarity 0.6887 NPC26080
Remote Similarity 0.6887 NPC165686
Remote Similarity 0.6887 NPC85799
Remote Similarity 0.6887 NPC303422
Remote Similarity 0.6886 NPC180306
Remote Similarity 0.6879 NPC244338
Remote Similarity 0.6875 NPC270751
Remote Similarity 0.6875 NPC175976
Remote Similarity 0.6875 NPC478237
Remote Similarity 0.6863 NPC25333
Remote Similarity 0.6863 NPC148893
Remote Similarity 0.6863 NPC49235
Remote Similarity 0.6863 NPC134968
Remote Similarity 0.6846 NPC210674
Remote Similarity 0.6842 NPC294166
Remote Similarity 0.6842 NPC329992
Remote Similarity 0.6842 NPC69513
Remote Similarity 0.6842 NPC115022
Remote Similarity 0.6842 NPC196937
Remote Similarity 0.6842 NPC215833
Remote Similarity 0.6842 NPC1474
Remote Similarity 0.6839 NPC32413
Remote Similarity 0.6839 NPC474506
Remote Similarity 0.6835 NPC25292
Remote Similarity 0.6835 NPC473045
Remote Similarity 0.6832 NPC55158
Remote Similarity 0.6832 NPC51328
Remote Similarity 0.6832 NPC286235
Remote Similarity 0.6829 NPC159922
Remote Similarity 0.6826 NPC218614
Remote Similarity 0.6824 NPC50683
Remote Similarity 0.6824 NPC110677
Remote Similarity 0.6824 NPC112571
Remote Similarity 0.6824 NPC285725
Remote Similarity 0.6818 NPC143895
Remote Similarity 0.6818 NPC78047
Remote Similarity 0.6818 NPC121651
Remote Similarity 0.6815 NPC107161
Remote Similarity 0.6803 NPC191768
Remote Similarity 0.6803 NPC92869
Remote Similarity 0.6803 NPC283170
Remote Similarity 0.68 NPC262641
Remote Similarity 0.68 NPC228769
Remote Similarity 0.68 NPC470633
Remote Similarity 0.6797 NPC251981
Remote Similarity 0.6797 NPC13745
Remote Similarity 0.6797 NPC187194
Remote Similarity 0.6797 NPC130496
Remote Similarity 0.6797 NPC188555
Remote Similarity 0.6797 NPC48863
Remote Similarity 0.6797 NPC476411
Remote Similarity 0.6795 NPC226547
Remote Similarity 0.6792 NPC475096
Remote Similarity 0.6792 NPC180953
Remote Similarity 0.6782 NPC258695
Remote Similarity 0.6782 NPC470879
Remote Similarity 0.6781 NPC211231
Remote Similarity 0.6776 NPC299144
Remote Similarity 0.6776 NPC7744
Remote Similarity 0.6774 NPC195196
Remote Similarity 0.6774 NPC102904
Remote Similarity 0.6774 NPC474282
Remote Similarity 0.6774 NPC196420
Remote Similarity 0.6774 NPC20796
Remote Similarity 0.6774 NPC107551
Remote Similarity 0.6774 NPC176051
Remote Similarity 0.6774 NPC185908
Remote Similarity 0.6774 NPC326797
Remote Similarity 0.6774 NPC103976
Remote Similarity 0.6772 NPC474808
Remote Similarity 0.6772 NPC473044
Remote Similarity 0.677 NPC130449
Remote Similarity 0.677 NPC248132
Remote Similarity 0.6768 NPC150670
Remote Similarity 0.6765 NPC232654
Remote Similarity 0.6759 NPC472596
Remote Similarity 0.6757 NPC320242
Remote Similarity 0.6757 NPC141739
Remote Similarity 0.6757 NPC136112
Remote Similarity 0.6755 NPC474491
Remote Similarity 0.6755 NPC79184
Remote Similarity 0.6755 NPC476399
Remote Similarity 0.6755 NPC307042
Remote Similarity 0.6755 NPC63574
Remote Similarity 0.6755 NPC237169
Remote Similarity 0.6755 NPC470624
Remote Similarity 0.6753 NPC238243
Remote Similarity 0.6753 NPC195022
Remote Similarity 0.6753 NPC224941
Remote Similarity 0.6753 NPC311430
Remote Similarity 0.6753 NPC469808
Remote Similarity 0.6752 NPC247291
Remote Similarity 0.6752 NPC312199
Remote Similarity 0.6752 NPC108674
Remote Similarity 0.675 NPC99515
Remote Similarity 0.675 NPC125755
Remote Similarity 0.675 NPC190714
Remote Similarity 0.6742 NPC313918
Remote Similarity 0.6733 NPC158471
Remote Similarity 0.6733 NPC302378
Remote Similarity 0.6733 NPC226862
Remote Similarity 0.6733 NPC165128
Remote Similarity 0.6733 NPC57119
Remote Similarity 0.6733 NPC82862
Remote Similarity 0.6733 NPC222127

Drug Structure

External Identifiers

TTD   DCL000885
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   198746
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  343.14
ALogP  -1.4774
MLogP  2.89
XLogP  2.888
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  58.18
RO5 Violation  0