Drug Information

Drug ID:  NPD773
Drug Name:  Albendazole
Molecular Formula:  C12H15N3O2S
Canonical SMILES:  CCCSc1ccc2c(c1)[nH]c(n2)N=C(OC)O
Standard InCHI:  InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
Standard InCHIKey:  HXHWSAZORRCQMX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD773

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
High Similarity 0.9806 NPC314557
High Similarity 0.9682 NPC315715
High Similarity 0.8816 NPC42483
Intermediate Similarity 0.8065 NPC216159
Intermediate Similarity 0.747 NPC114209
Intermediate Similarity 0.7126 NPC300238
Remote Similarity 0.6837 NPC469308
Remote Similarity 0.6667 NPC120070
Remote Similarity 0.6629 NPC282531
Remote Similarity 0.6626 NPC75999
Remote Similarity 0.6556 NPC474791
Remote Similarity 0.6424 NPC151779
Remote Similarity 0.6369 NPC216713
Remote Similarity 0.6364 NPC273714
Remote Similarity 0.6343 NPC320863
Remote Similarity 0.6313 NPC148592
Remote Similarity 0.6296 NPC317054
Remote Similarity 0.6289 NPC476341
Remote Similarity 0.6286 NPC88121
Remote Similarity 0.6271 NPC204141
Remote Similarity 0.6201 NPC471957
Remote Similarity 0.6188 NPC143156
Remote Similarity 0.6182 NPC41174
Remote Similarity 0.6162 NPC470204
Remote Similarity 0.6149 NPC125746
Remote Similarity 0.6139 NPC272483
Remote Similarity 0.6136 NPC115611
Remote Similarity 0.6129 NPC470203
Remote Similarity 0.6099 NPC470823
Remote Similarity 0.6071 NPC69277
Remote Similarity 0.6059 NPC287895
Remote Similarity 0.6053 NPC316756
Remote Similarity 0.6045 NPC284635
Remote Similarity 0.6043 NPC253687
Remote Similarity 0.6034 NPC242556
Remote Similarity 0.6034 NPC198988
Remote Similarity 0.6032 NPC49217
Remote Similarity 0.602 NPC471609
Remote Similarity 0.6 NPC325252
Remote Similarity 0.5989 NPC122141
Remote Similarity 0.5988 NPC22079
Remote Similarity 0.5987 NPC317642
Remote Similarity 0.5978 NPC190296
Remote Similarity 0.5978 NPC161108
Remote Similarity 0.5946 NPC476297
Remote Similarity 0.5946 NPC476219
Remote Similarity 0.5946 NPC471458
Remote Similarity 0.5941 NPC250361
Remote Similarity 0.5939 NPC39092
Remote Similarity 0.5935 NPC282247
Remote Similarity 0.5934 NPC179787
Remote Similarity 0.5934 NPC201380
Remote Similarity 0.593 NPC473587
Remote Similarity 0.5924 NPC71238
Remote Similarity 0.5922 NPC197068
Remote Similarity 0.5918 NPC164228
Remote Similarity 0.5912 NPC470440
Remote Similarity 0.5912 NPC314372
Remote Similarity 0.5909 NPC218268
Remote Similarity 0.5902 NPC37548
Remote Similarity 0.5902 NPC321911
Remote Similarity 0.5902 NPC124005
Remote Similarity 0.5897 NPC248454
Remote Similarity 0.5897 NPC473380
Remote Similarity 0.5897 NPC240088
Remote Similarity 0.5896 NPC475428
Remote Similarity 0.5892 NPC200214
Remote Similarity 0.5888 NPC47596
Remote Similarity 0.5882 NPC299594
Remote Similarity 0.5879 NPC143872
Remote Similarity 0.5879 NPC63545
Remote Similarity 0.5872 NPC473762
Remote Similarity 0.5867 NPC265710
Remote Similarity 0.5862 NPC475450
Remote Similarity 0.5862 NPC179365
Remote Similarity 0.586 NPC470507
Remote Similarity 0.5859 NPC163055
Remote Similarity 0.5849 NPC116555
Remote Similarity 0.5847 NPC469811
Remote Similarity 0.5842 NPC247987
Remote Similarity 0.5841 NPC54981
Remote Similarity 0.5838 NPC16659
Remote Similarity 0.5838 NPC469975
Remote Similarity 0.583 NPC187145
Remote Similarity 0.5824 NPC159856
Remote Similarity 0.5823 NPC24060
Remote Similarity 0.582 NPC473320
Remote Similarity 0.5814 NPC471603
Remote Similarity 0.581 NPC88097
Remote Similarity 0.5803 NPC474168
Remote Similarity 0.58 NPC49051
Remote Similarity 0.5798 NPC236711
Remote Similarity 0.5789 NPC225018
Remote Similarity 0.5789 NPC224632
Remote Similarity 0.5787 NPC84911
Remote Similarity 0.5784 NPC24678
Remote Similarity 0.5784 NPC105818
Remote Similarity 0.5781 NPC470509
Remote Similarity 0.5775 NPC66699
Remote Similarity 0.5775 NPC38736
Remote Similarity 0.5759 NPC271734
Remote Similarity 0.5759 NPC311276
Remote Similarity 0.5756 NPC476140
Remote Similarity 0.5754 NPC8590
Remote Similarity 0.5751 NPC278874
Remote Similarity 0.5745 NPC285469
Remote Similarity 0.5745 NPC184476
Remote Similarity 0.5739 NPC473930
Remote Similarity 0.573 NPC96102
Remote Similarity 0.573 NPC187951
Remote Similarity 0.573 NPC29886
Remote Similarity 0.573 NPC261195
Remote Similarity 0.5729 NPC307191
Remote Similarity 0.5728 NPC294693
Remote Similarity 0.5722 NPC469786
Remote Similarity 0.5722 NPC469765
Remote Similarity 0.5722 NPC325903
Remote Similarity 0.5722 NPC232798
Remote Similarity 0.5722 NPC25008
Remote Similarity 0.5722 NPC469763
Remote Similarity 0.5722 NPC73767
Remote Similarity 0.5722 NPC259644
Remote Similarity 0.5722 NPC469760
Remote Similarity 0.5722 NPC110126
Remote Similarity 0.5722 NPC73952
Remote Similarity 0.5714 NPC469762
Remote Similarity 0.5707 NPC129042
Remote Similarity 0.5698 NPC105127
Remote Similarity 0.5694 NPC124636
Remote Similarity 0.5692 NPC105758
Remote Similarity 0.5692 NPC476686
Remote Similarity 0.5692 NPC476688
Remote Similarity 0.5691 NPC212376
Remote Similarity 0.5691 NPC70922
Remote Similarity 0.5691 NPC469768
Remote Similarity 0.5691 NPC59084
Remote Similarity 0.5691 NPC211572
Remote Similarity 0.5691 NPC469783
Remote Similarity 0.5691 NPC75540
Remote Similarity 0.5691 NPC469779
Remote Similarity 0.5691 NPC469784
Remote Similarity 0.5691 NPC80597
Remote Similarity 0.5691 NPC469767
Remote Similarity 0.5691 NPC469780
Remote Similarity 0.5691 NPC469761
Remote Similarity 0.5691 NPC2949
Remote Similarity 0.5682 NPC82295
Remote Similarity 0.5678 NPC88110
Remote Similarity 0.5677 NPC8104
Remote Similarity 0.5668 NPC193370
Remote Similarity 0.5661 NPC41982
Remote Similarity 0.5661 NPC469785
Remote Similarity 0.5659 NPC473868
Remote Similarity 0.5659 NPC63157
Remote Similarity 0.5659 NPC469766
Remote Similarity 0.5654 NPC175916
Remote Similarity 0.565 NPC314394
Remote Similarity 0.5645 NPC288445
Remote Similarity 0.5641 NPC91895
Remote Similarity 0.5639 NPC69843
Remote Similarity 0.5636 NPC173344
Remote Similarity 0.5636 NPC267811
Remote Similarity 0.5632 NPC316910
Remote Similarity 0.5625 NPC16667
Remote Similarity 0.5625 NPC282231
Remote Similarity 0.5612 NPC470498
Remote Similarity 0.5611 NPC149014
Remote Similarity 0.5606 NPC151635
Remote Similarity 0.5604 NPC279081
Remote Similarity 0.56 NPC249662

Drug Structure

External Identifiers

TTD   DAP000951
DrugBank   DB00518
ChEMBL   CHEMBL1483
IUPHAR/BPS  
PharmaGKB   PA164746058
KEGG Drug   D00134
PubChem CID   2082
ChEBI   16664
CAS Number  54965-21-8

Drug Properties

Molecular Weight  265.09
ALogP  0.5166
MLogP  2.12
XLogP  3.701
HDA  5
HBD  2
Rotatable Bonds  8
TPSA  95.8
RO5 Violation  0