Drug Information

Drug ID:  NPD404
Drug Name:  tetrazolast meglumine
Molecular Formula:  C10H6N8
Canonical SMILES:  n1[nH]nc(n1)c1cc2ccccc2n2c1nnn2
Standard InCHI:  InChI=1S/C10H6N8/c1-2-4-8-6(3-1)5-7(9-11-14-15-12-9)10-13-16-17-18(8)10/h1-5H,(H,11,12,14,15)
Standard InCHIKey:  LIRHINFDFZWXPL-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD404

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 0.7429 NPC317054
Intermediate Similarity 0.729 NPC75999
Intermediate Similarity 0.7289 NPC114209
Intermediate Similarity 0.7239 NPC284635
Intermediate Similarity 0.7169 NPC204141
Intermediate Similarity 0.7105 NPC54102
Intermediate Similarity 0.7105 NPC162689
Intermediate Similarity 0.7086 NPC148140
Intermediate Similarity 0.7039 NPC81561
Intermediate Similarity 0.7039 NPC471579
Remote Similarity 0.6983 NPC208060
Remote Similarity 0.6962 NPC250361
Remote Similarity 0.6951 NPC125746
Remote Similarity 0.6932 NPC317105
Remote Similarity 0.6928 NPC115611
Remote Similarity 0.6914 NPC470204
Remote Similarity 0.691 NPC278874
Remote Similarity 0.6903 NPC215519
Remote Similarity 0.6879 NPC476219
Remote Similarity 0.6879 NPC476297
Remote Similarity 0.6875 NPC470203
Remote Similarity 0.6875 NPC473762
Remote Similarity 0.6848 NPC477891
Remote Similarity 0.6835 NPC122718
Remote Similarity 0.6833 NPC105758
Remote Similarity 0.6833 NPC476688
Remote Similarity 0.6833 NPC476686
Remote Similarity 0.6832 NPC473587
Remote Similarity 0.6829 NPC198988
Remote Similarity 0.6824 NPC288838
Remote Similarity 0.6815 NPC41174
Remote Similarity 0.681 NPC473930
Remote Similarity 0.679 NPC475428
Remote Similarity 0.679 NPC22079
Remote Similarity 0.6788 NPC325252
Remote Similarity 0.678 NPC224632
Remote Similarity 0.6763 NPC130570
Remote Similarity 0.6757 NPC144114
Remote Similarity 0.6748 NPC179365
Remote Similarity 0.6748 NPC475450
Remote Similarity 0.6734 NPC116555
Remote Similarity 0.6726 NPC59084
Remote Similarity 0.6725 NPC143872
Remote Similarity 0.6723 NPC229173
Remote Similarity 0.6723 NPC122141
Remote Similarity 0.6705 NPC53947
Remote Similarity 0.6687 NPC216159
Remote Similarity 0.6686 NPC473868
Remote Similarity 0.6686 NPC63157
Remote Similarity 0.6685 NPC225018
Remote Similarity 0.6667 NPC46358
Remote Similarity 0.6667 NPC88097
Remote Similarity 0.6648 NPC247987
Remote Similarity 0.6634 NPC267811
Remote Similarity 0.6628 NPC63545
Remote Similarity 0.6627 NPC2949
Remote Similarity 0.661 NPC216643
Remote Similarity 0.6599 NPC469308
Remote Similarity 0.6593 NPC164664
Remote Similarity 0.6591 NPC120070
Remote Similarity 0.659 NPC179787
Remote Similarity 0.659 NPC201380
Remote Similarity 0.659 NPC469811
Remote Similarity 0.6573 NPC474880
Remote Similarity 0.6573 NPC475990
Remote Similarity 0.6573 NPC221786
Remote Similarity 0.657 NPC86288
Remote Similarity 0.6568 NPC104483
Remote Similarity 0.6568 NPC312092
Remote Similarity 0.6552 NPC321911
Remote Similarity 0.6548 NPC105127
Remote Similarity 0.6543 NPC476140
Remote Similarity 0.6534 NPC325903
Remote Similarity 0.6532 NPC478186
Remote Similarity 0.6517 NPC316910
Remote Similarity 0.6514 NPC40070
Remote Similarity 0.6503 NPC474897
Remote Similarity 0.6494 NPC470111
Remote Similarity 0.6494 NPC21605
Remote Similarity 0.6488 NPC218268
Remote Similarity 0.6488 NPC96102
Remote Similarity 0.6484 NPC49217
Remote Similarity 0.648 NPC135141
Remote Similarity 0.648 NPC92796
Remote Similarity 0.6474 NPC470440
Remote Similarity 0.6471 NPC110126
Remote Similarity 0.6458 NPC472289
Remote Similarity 0.6453 NPC20144
Remote Similarity 0.6452 NPC280852
Remote Similarity 0.645 NPC84911
Remote Similarity 0.645 NPC314102
Remote Similarity 0.645 NPC251722
Remote Similarity 0.6446 NPC82295
Remote Similarity 0.6441 NPC232798
Remote Similarity 0.6429 NPC2165
Remote Similarity 0.6429 NPC195507
Remote Similarity 0.6402 NPC307191
Remote Similarity 0.6391 NPC29886
Remote Similarity 0.6391 NPC261195
Remote Similarity 0.6389 NPC300238
Remote Similarity 0.6383 NPC265710
Remote Similarity 0.6374 NPC73767
Remote Similarity 0.6354 NPC215584
Remote Similarity 0.6354 NPC44773
Remote Similarity 0.6353 NPC150259
Remote Similarity 0.6349 NPC16659
Remote Similarity 0.6348 NPC138842
Remote Similarity 0.6344 NPC477611
Remote Similarity 0.6337 NPC469780
Remote Similarity 0.6337 NPC279081
Remote Similarity 0.6337 NPC469768
Remote Similarity 0.6337 NPC469767
Remote Similarity 0.6337 NPC469783
Remote Similarity 0.6337 NPC469761
Remote Similarity 0.6337 NPC230002
Remote Similarity 0.6337 NPC469779
Remote Similarity 0.6337 NPC469784
Remote Similarity 0.6335 NPC108011
Remote Similarity 0.6333 NPC236711
Remote Similarity 0.633 NPC473380
Remote Similarity 0.633 NPC240088
Remote Similarity 0.6328 NPC33421
Remote Similarity 0.6322 NPC242556
Remote Similarity 0.6316 NPC169433
Remote Similarity 0.6301 NPC469766
Remote Similarity 0.6292 NPC470233
Remote Similarity 0.6284 NPC8104
Remote Similarity 0.6284 NPC478184
Remote Similarity 0.628 NPC471603
Remote Similarity 0.6267 NPC470323
Remote Similarity 0.6264 NPC190296
Remote Similarity 0.625 NPC17751
Remote Similarity 0.625 NPC280864
Remote Similarity 0.625 NPC101165
Remote Similarity 0.625 NPC21429
Remote Similarity 0.6243 NPC238499
Remote Similarity 0.6239 NPC935
Remote Similarity 0.6239 NPC267078
Remote Similarity 0.6236 NPC148592
Remote Similarity 0.623 NPC253687
Remote Similarity 0.6215 NPC477134
Remote Similarity 0.621 NPC474357
Remote Similarity 0.6209 NPC293487
Remote Similarity 0.6209 NPC477591
Remote Similarity 0.6207 NPC277157
Remote Similarity 0.6205 NPC230805
Remote Similarity 0.6193 NPC314372
Remote Similarity 0.6193 NPC285731
Remote Similarity 0.6193 NPC159856
Remote Similarity 0.618 NPC37548
Remote Similarity 0.618 NPC124005
Remote Similarity 0.6178 NPC314141
Remote Similarity 0.6178 NPC88110
Remote Similarity 0.6173 NPC231536
Remote Similarity 0.6172 NPC282247
Remote Similarity 0.6171 NPC42483
Remote Similarity 0.617 NPC252572
Remote Similarity 0.6167 NPC200743
Remote Similarity 0.6162 NPC274229
Remote Similarity 0.6158 NPC59269
Remote Similarity 0.6154 NPC254762
Remote Similarity 0.615 NPC97343
Remote Similarity 0.6149 NPC91958
Remote Similarity 0.6141 NPC478185
Remote Similarity 0.6138 NPC297034
Remote Similarity 0.6135 NPC48564
Remote Similarity 0.6135 NPC265605
Remote Similarity 0.6135 NPC182570
Remote Similarity 0.6134 NPC476341
Remote Similarity 0.6124 NPC471957
Remote Similarity 0.6121 NPC27740
Remote Similarity 0.612 NPC56765
Remote Similarity 0.6117 NPC243850
Remote Similarity 0.6117 NPC82331
Remote Similarity 0.6108 NPC478182
Remote Similarity 0.6101 NPC317031
Remote Similarity 0.6101 NPC143156
Remote Similarity 0.6101 NPC315822
Remote Similarity 0.6099 NPC476464
Remote Similarity 0.6095 NPC282398
Remote Similarity 0.6094 NPC164228
Remote Similarity 0.6089 NPC187951
Remote Similarity 0.6089 NPC2272
Remote Similarity 0.6085 NPC161861
Remote Similarity 0.6077 NPC161108
Remote Similarity 0.6067 NPC129042
Remote Similarity 0.6065 NPC302790
Remote Similarity 0.6056 NPC24678
Remote Similarity 0.6056 NPC105818
Remote Similarity 0.6051 NPC99939
Remote Similarity 0.6051 NPC15102
Remote Similarity 0.6051 NPC308931
Remote Similarity 0.6049 NPC143603
Remote Similarity 0.6044 NPC471458
Remote Similarity 0.6044 NPC470507
Remote Similarity 0.6044 NPC38736
Remote Similarity 0.6043 NPC56233
Remote Similarity 0.6043 NPC478183
Remote Similarity 0.6038 NPC62995
Remote Similarity 0.6033 NPC6436

Drug Structure

External Identifiers

TTD   DIB004685
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  238.07
ALogP  -0.4072
MLogP  1.68
XLogP  2.535
HDA  8
HBD  1
Rotatable Bonds  1
TPSA  97.54
RO5 Violation  0