Drug Information

Drug ID:  NPD412
Drug Name:  Thiabendazole
Molecular Formula:  C10H7N3S
Canonical SMILES:  c1scc(n1)c1nc2c([nH]1)cccc2
Standard InCHI:  InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
Standard InCHIKey:  WJCNZQLZVWNLKY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD412

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 0.773 NPC216159
Intermediate Similarity 0.7459 NPC314557
Intermediate Similarity 0.7385 NPC469308
Intermediate Similarity 0.7384 NPC114209
Intermediate Similarity 0.7377 NPC315715
Intermediate Similarity 0.7258 NPC164228
Intermediate Similarity 0.7151 NPC300238
Intermediate Similarity 0.7151 NPC42483
Intermediate Similarity 0.7091 NPC287895
Remote Similarity 0.6862 NPC317054
Remote Similarity 0.6793 NPC253687
Remote Similarity 0.6707 NPC273714
Remote Similarity 0.6703 NPC120070
Remote Similarity 0.6649 NPC470204
Remote Similarity 0.6613 NPC470203
Remote Similarity 0.6509 NPC69277
Remote Similarity 0.6476 NPC39092
Remote Similarity 0.6471 NPC151779
Remote Similarity 0.6471 NPC75999
Remote Similarity 0.6471 NPC122141
Remote Similarity 0.6441 NPC41982
Remote Similarity 0.6413 NPC216713
Remote Similarity 0.6413 NPC470823
Remote Similarity 0.6393 NPC282531
Remote Similarity 0.6389 NPC320863
Remote Similarity 0.6378 NPC161108
Remote Similarity 0.6374 NPC63545
Remote Similarity 0.6368 NPC147810
Remote Similarity 0.6359 NPC148592
Remote Similarity 0.6351 NPC116555
Remote Similarity 0.6339 NPC179787
Remote Similarity 0.6339 NPC201380
Remote Similarity 0.6339 NPC469811
Remote Similarity 0.6333 NPC197068
Remote Similarity 0.6304 NPC321911
Remote Similarity 0.6267 NPC267811
Remote Similarity 0.625 NPC49051
Remote Similarity 0.6243 NPC88121
Remote Similarity 0.6234 NPC316756
Remote Similarity 0.6233 NPC471603
Remote Similarity 0.623 NPC204141
Remote Similarity 0.623 NPC317105
Remote Similarity 0.6204 NPC282247
Remote Similarity 0.6203 NPC325903
Remote Similarity 0.6196 NPC143872
Remote Similarity 0.6196 NPC288838
Remote Similarity 0.6193 NPC240088
Remote Similarity 0.6193 NPC473380
Remote Similarity 0.6193 NPC173344
Remote Similarity 0.6181 NPC307191
Remote Similarity 0.6164 NPC149014
Remote Similarity 0.6162 NPC265710
Remote Similarity 0.6162 NPC471957
Remote Similarity 0.6131 NPC16659
Remote Similarity 0.6111 NPC125746
Remote Similarity 0.6109 NPC77022
Remote Similarity 0.6108 NPC84268
Remote Similarity 0.6105 NPC236711
Remote Similarity 0.6102 NPC82295
Remote Similarity 0.6099 NPC115611
Remote Similarity 0.6096 NPC53947
Remote Similarity 0.6094 NPC225018
Remote Similarity 0.6085 NPC476297
Remote Similarity 0.6085 NPC476219
Remote Similarity 0.6081 NPC216221
Remote Similarity 0.607 NPC471609
Remote Similarity 0.6056 NPC96102
Remote Similarity 0.6048 NPC143156
Remote Similarity 0.6032 NPC200214
Remote Similarity 0.6022 NPC84911
Remote Similarity 0.6022 NPC105127
Remote Similarity 0.6011 NPC284635
Remote Similarity 0.6 NPC49217
Remote Similarity 0.598 NPC280852
Remote Similarity 0.5973 NPC153467
Remote Similarity 0.5967 NPC261195
Remote Similarity 0.5967 NPC29886
Remote Similarity 0.5956 NPC73767
Remote Similarity 0.5956 NPC110126
Remote Similarity 0.5949 NPC274229
Remote Similarity 0.5939 NPC97343
Remote Similarity 0.5939 NPC470323
Remote Similarity 0.5938 NPC216643
Remote Similarity 0.5924 NPC469784
Remote Similarity 0.5924 NPC469779
Remote Similarity 0.5924 NPC469768
Remote Similarity 0.5924 NPC469761
Remote Similarity 0.5924 NPC230002
Remote Similarity 0.5924 NPC469767
Remote Similarity 0.5924 NPC469780
Remote Similarity 0.5924 NPC279081
Remote Similarity 0.5924 NPC469783
Remote Similarity 0.5913 NPC935
Remote Similarity 0.5913 NPC267078
Remote Similarity 0.5912 NPC198988
Remote Similarity 0.5907 NPC92796
Remote Similarity 0.5907 NPC135141
Remote Similarity 0.5907 NPC474791
Remote Similarity 0.5899 NPC71238
Remote Similarity 0.5892 NPC469766
Remote Similarity 0.5887 NPC474357
Remote Similarity 0.5882 NPC108011
Remote Similarity 0.5879 NPC325252
Remote Similarity 0.5879 NPC218268
Remote Similarity 0.5862 NPC41174
Remote Similarity 0.586 NPC190296
Remote Similarity 0.5859 NPC91895
Remote Similarity 0.5852 NPC156003
Remote Similarity 0.5829 NPC82331
Remote Similarity 0.5826 NPC69843
Remote Similarity 0.5819 NPC250361
Remote Similarity 0.5818 NPC54981
Remote Similarity 0.5816 NPC247987
Remote Similarity 0.5815 NPC130570
Remote Similarity 0.5812 NPC470233
Remote Similarity 0.581 NPC188821
Remote Similarity 0.581 NPC474180
Remote Similarity 0.5798 NPC314372
Remote Similarity 0.5798 NPC159856
Remote Similarity 0.5792 NPC248454
Remote Similarity 0.5787 NPC280864
Remote Similarity 0.5787 NPC17751
Remote Similarity 0.5784 NPC88097
Remote Similarity 0.5779 NPC474168
Remote Similarity 0.5778 NPC22079
Remote Similarity 0.5774 NPC477418
Remote Similarity 0.5774 NPC477420
Remote Similarity 0.5765 NPC189314
Remote Similarity 0.5754 NPC473762
Remote Similarity 0.5743 NPC474958
Remote Similarity 0.5737 NPC470111
Remote Similarity 0.5729 NPC469975
Remote Similarity 0.5722 NPC473587
Remote Similarity 0.5714 NPC229173
Remote Similarity 0.5702 NPC478030
Remote Similarity 0.5701 NPC474389
Remote Similarity 0.5699 NPC232798
Remote Similarity 0.5691 NPC475428
Remote Similarity 0.5684 NPC316069
Remote Similarity 0.568 NPC163055
Remote Similarity 0.5677 NPC24678
Remote Similarity 0.5677 NPC105818
Remote Similarity 0.5673 NPC476527
Remote Similarity 0.5668 NPC150447
Remote Similarity 0.5667 NPC231536
Remote Similarity 0.5663 NPC474880
Remote Similarity 0.5663 NPC475990
Remote Similarity 0.5663 NPC221786
Remote Similarity 0.5659 NPC249662
Remote Similarity 0.5659 NPC179365
Remote Similarity 0.5659 NPC40530
Remote Similarity 0.5659 NPC475450
Remote Similarity 0.5659 NPC314281
Remote Similarity 0.5652 NPC317642
Remote Similarity 0.5644 NPC477611
Remote Similarity 0.5635 NPC215584
Remote Similarity 0.5635 NPC44773
Remote Similarity 0.5632 NPC285731
Remote Similarity 0.5632 NPC470440
Remote Similarity 0.5631 NPC191415
Remote Similarity 0.5628 NPC473930
Remote Similarity 0.562 NPC314774
Remote Similarity 0.562 NPC324815
Remote Similarity 0.562 NPC315126
Remote Similarity 0.5619 NPC259644
Remote Similarity 0.5619 NPC25008
Remote Similarity 0.5619 NPC73952
Remote Similarity 0.5619 NPC141926
Remote Similarity 0.5619 NPC469786
Remote Similarity 0.5619 NPC469760
Remote Similarity 0.5619 NPC469765
Remote Similarity 0.5619 NPC469763
Remote Similarity 0.5614 NPC473901
Remote Similarity 0.5604 NPC48938
Remote Similarity 0.5604 NPC102755
Remote Similarity 0.56 NPC50511

Drug Structure

External Identifiers

TTD   DAP000664
DrugBank   DB00730
ChEMBL   CHEMBL625
IUPHAR/BPS   7304
PharmaGKB   PA164746466
KEGG Drug   D00372
PubChem CID   5430
ChEBI   45979
CAS Number  148-79-8

Drug Properties

Molecular Weight  201.04
ALogP  0.1702
MLogP  2.12
XLogP  2.389
HDA  3
HBD  1
Rotatable Bonds  1
TPSA  69.81
RO5 Violation  0