Drug Information

Drug ID:  NPD9342
Drug Name:  Acetarsol
Molecular Formula:  C8H10AsNO5
Canonical SMILES:  CC(=Nc1cc(ccc1O)[As](=O)(O)O)O
Standard InCHI:  InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
Standard InCHIKey:  ODFJOVXVLFUVNQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9342

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 0.9439 NPC255721
High Similarity 0.8727 NPC76327
Intermediate Similarity 0.8496 NPC9336
Intermediate Similarity 0.8364 NPC311660
Intermediate Similarity 0.7829 NPC313466
Intermediate Similarity 0.7815 NPC264782
Intermediate Similarity 0.7699 NPC70201
Intermediate Similarity 0.7581 NPC321869
Intermediate Similarity 0.75 NPC256838
Intermediate Similarity 0.75 NPC314113
Intermediate Similarity 0.7458 NPC44836
Intermediate Similarity 0.7422 NPC315632
Intermediate Similarity 0.7333 NPC122542
Intermediate Similarity 0.7185 NPC297584
Intermediate Similarity 0.7183 NPC315829
Intermediate Similarity 0.7174 NPC47986
Intermediate Similarity 0.712 NPC222982
Intermediate Similarity 0.709 NPC473987
Intermediate Similarity 0.7037 NPC15839
Intermediate Similarity 0.7009 NPC307456
Remote Similarity 0.6975 NPC178902
Remote Similarity 0.696 NPC322735
Remote Similarity 0.6934 NPC91615
Remote Similarity 0.6905 NPC329190
Remote Similarity 0.687 NPC476483
Remote Similarity 0.6861 NPC208022
Remote Similarity 0.6855 NPC329358
Remote Similarity 0.6803 NPC231705
Remote Similarity 0.6786 NPC166667
Remote Similarity 0.6786 NPC126637
Remote Similarity 0.6759 NPC473769
Remote Similarity 0.6748 NPC142297
Remote Similarity 0.6738 NPC469828
Remote Similarity 0.6736 NPC470403
Remote Similarity 0.6736 NPC323798
Remote Similarity 0.6736 NPC470404
Remote Similarity 0.6736 NPC470394
Remote Similarity 0.672 NPC226914
Remote Similarity 0.6719 NPC317254
Remote Similarity 0.6644 NPC470395
Remote Similarity 0.6641 NPC118202
Remote Similarity 0.664 NPC258056
Remote Similarity 0.6587 NPC474149
Remote Similarity 0.6579 NPC70549
Remote Similarity 0.656 NPC24101
Remote Similarity 0.656 NPC96224
Remote Similarity 0.6554 NPC257142
Remote Similarity 0.6515 NPC283760
Remote Similarity 0.6515 NPC319950
Remote Similarity 0.6513 NPC112766
Remote Similarity 0.6494 NPC231862
Remote Similarity 0.6494 NPC306366
Remote Similarity 0.6489 NPC38458
Remote Similarity 0.6489 NPC311737
Remote Similarity 0.648 NPC37584
Remote Similarity 0.6466 NPC78154
Remote Similarity 0.6463 NPC473874
Remote Similarity 0.6458 NPC314252
Remote Similarity 0.6452 NPC79911
Remote Similarity 0.6429 NPC153690
Remote Similarity 0.6424 NPC184161
Remote Similarity 0.6424 NPC284348
Remote Similarity 0.6423 NPC178681
Remote Similarity 0.6412 NPC82963
Remote Similarity 0.6395 NPC260601
Remote Similarity 0.6393 NPC289381
Remote Similarity 0.6393 NPC155847
Remote Similarity 0.6393 NPC29601
Remote Similarity 0.6387 NPC120798
Remote Similarity 0.6385 NPC142599
Remote Similarity 0.637 NPC474862
Remote Similarity 0.6364 NPC107619
Remote Similarity 0.6355 NPC100980
Remote Similarity 0.635 NPC205946
Remote Similarity 0.6346 NPC57105
Remote Similarity 0.6345 NPC204156
Remote Similarity 0.6345 NPC181526
Remote Similarity 0.6319 NPC43218
Remote Similarity 0.6299 NPC477889
Remote Similarity 0.6296 NPC473050
Remote Similarity 0.6296 NPC473051
Remote Similarity 0.6288 NPC147957
Remote Similarity 0.6273 NPC225381
Remote Similarity 0.6273 NPC65517
Remote Similarity 0.6267 NPC220523
Remote Similarity 0.6266 NPC204179
Remote Similarity 0.6259 NPC476462
Remote Similarity 0.6258 NPC116573
Remote Similarity 0.625 NPC27581
Remote Similarity 0.6242 NPC191863
Remote Similarity 0.6242 NPC289776
Remote Similarity 0.6242 NPC133470
Remote Similarity 0.6235 NPC95898
Remote Similarity 0.6232 NPC325013
Remote Similarity 0.6222 NPC41801
Remote Similarity 0.6222 NPC160120
Remote Similarity 0.6222 NPC53596
Remote Similarity 0.6222 NPC289330
Remote Similarity 0.6222 NPC471308
Remote Similarity 0.6222 NPC17388
Remote Similarity 0.6216 NPC168750
Remote Similarity 0.6214 NPC259098
Remote Similarity 0.6214 NPC197680
Remote Similarity 0.6212 NPC37302
Remote Similarity 0.6211 NPC83241
Remote Similarity 0.6194 NPC122009
Remote Similarity 0.6194 NPC10730
Remote Similarity 0.6194 NPC10875
Remote Similarity 0.6186 NPC92689
Remote Similarity 0.6184 NPC241392
Remote Similarity 0.6181 NPC317872
Remote Similarity 0.6179 NPC125732
Remote Similarity 0.6165 NPC258992
Remote Similarity 0.6159 NPC161292
Remote Similarity 0.6154 NPC163674
Remote Similarity 0.6154 NPC174421
Remote Similarity 0.6154 NPC227553
Remote Similarity 0.6148 NPC268572
Remote Similarity 0.6138 NPC159589
Remote Similarity 0.6136 NPC470550
Remote Similarity 0.6136 NPC205652
Remote Similarity 0.6135 NPC95412
Remote Similarity 0.6131 NPC142577
Remote Similarity 0.6125 NPC314861
Remote Similarity 0.6124 NPC316052
Remote Similarity 0.6121 NPC248817
Remote Similarity 0.6119 NPC283468
Remote Similarity 0.6115 NPC291359
Remote Similarity 0.6111 NPC184437
Remote Similarity 0.6108 NPC272375
Remote Similarity 0.6107 NPC60553
Remote Similarity 0.6106 NPC204932
Remote Similarity 0.6104 NPC219383
Remote Similarity 0.6104 NPC153769
Remote Similarity 0.6103 NPC252817
Remote Similarity 0.6099 NPC296712
Remote Similarity 0.6087 NPC44161
Remote Similarity 0.6087 NPC471314
Remote Similarity 0.6087 NPC471315
Remote Similarity 0.6076 NPC235628
Remote Similarity 0.6068 NPC197783
Remote Similarity 0.6065 NPC36168
Remote Similarity 0.6061 NPC315631
Remote Similarity 0.6056 NPC478147
Remote Similarity 0.6054 NPC476475
Remote Similarity 0.6053 NPC270094
Remote Similarity 0.6049 NPC314940
Remote Similarity 0.6049 NPC473764
Remote Similarity 0.604 NPC318935
Remote Similarity 0.6036 NPC313886
Remote Similarity 0.6034 NPC124436
Remote Similarity 0.6034 NPC265146
Remote Similarity 0.6032 NPC68055
Remote Similarity 0.6017 NPC184169
Remote Similarity 0.6017 NPC23167
Remote Similarity 0.6017 NPC307235
Remote Similarity 0.6017 NPC407
Remote Similarity 0.6013 NPC103250
Remote Similarity 0.6 NPC145638
Remote Similarity 0.6 NPC323948
Remote Similarity 0.6 NPC290566
Remote Similarity 0.6 NPC172046
Remote Similarity 0.5988 NPC478032
Remote Similarity 0.5986 NPC316574
Remote Similarity 0.5986 NPC101372
Remote Similarity 0.5983 NPC175313
Remote Similarity 0.5983 NPC286904
Remote Similarity 0.5983 NPC150837
Remote Similarity 0.5976 NPC315934
Remote Similarity 0.5976 NPC477392
Remote Similarity 0.5975 NPC25899
Remote Similarity 0.5975 NPC19023
Remote Similarity 0.5974 NPC144691
Remote Similarity 0.5973 NPC280853
Remote Similarity 0.5972 NPC255550
Remote Similarity 0.5972 NPC308885
Remote Similarity 0.5972 NPC326966
Remote Similarity 0.597 NPC303370
Remote Similarity 0.597 NPC10286
Remote Similarity 0.597 NPC213
Remote Similarity 0.5968 NPC315921
Remote Similarity 0.5966 NPC157213
Remote Similarity 0.5966 NPC27974
Remote Similarity 0.5966 NPC104216
Remote Similarity 0.5966 NPC25493
Remote Similarity 0.5966 NPC113460
Remote Similarity 0.5965 NPC4154
Remote Similarity 0.5957 NPC151489
Remote Similarity 0.5957 NPC476249
Remote Similarity 0.595 NPC270547
Remote Similarity 0.5944 NPC325651
Remote Similarity 0.5944 NPC226662
Remote Similarity 0.5942 NPC284078
Remote Similarity 0.5942 NPC83279
Remote Similarity 0.5941 NPC477391
Remote Similarity 0.594 NPC309808
Remote Similarity 0.5938 NPC475983
Remote Similarity 0.5938 NPC72291
Remote Similarity 0.5933 NPC245657
Remote Similarity 0.5933 NPC285016

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  274.98
ALogP  -0.7879
MLogP  1.57
XLogP  1.015
HDA  5
HBD  4
Rotatable Bonds  7
TPSA  110.35
RO5 Violation  0