Drug Information

Drug ID:  NPD522
Drug Name:  Arsthinol
Molecular Formula:  C11H14AsNO3S2
Canonical SMILES:  OCC1CS[As](S1)c1ccc(c(c1)N=C(O)C)O
Standard InCHI:  InChI=1S/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)
Standard InCHIKey:  MRUDSZSRLQAPOG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD522

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 0.8783 NPC255721
Intermediate Similarity 0.8136 NPC76327
Intermediate Similarity 0.7934 NPC9336
Intermediate Similarity 0.7797 NPC311660
Intermediate Similarity 0.763 NPC313466
Intermediate Similarity 0.746 NPC264782
Intermediate Similarity 0.7239 NPC315632
Intermediate Similarity 0.7203 NPC314113
Intermediate Similarity 0.719 NPC70201
Intermediate Similarity 0.705 NPC473987
Intermediate Similarity 0.7016 NPC256838
Remote Similarity 0.6992 NPC321869
Remote Similarity 0.6984 NPC44836
Remote Similarity 0.6806 NPC122542
Remote Similarity 0.6794 NPC322735
Remote Similarity 0.6783 NPC297584
Remote Similarity 0.6711 NPC470403
Remote Similarity 0.6711 NPC470404
Remote Similarity 0.6711 NPC470394
Remote Similarity 0.6692 NPC222982
Remote Similarity 0.6689 NPC315829
Remote Similarity 0.6667 NPC47986
Remote Similarity 0.6623 NPC470395
Remote Similarity 0.6623 NPC473769
Remote Similarity 0.6617 NPC329190
Remote Similarity 0.6552 NPC15839
Remote Similarity 0.6535 NPC178902
Remote Similarity 0.6531 NPC166667
Remote Similarity 0.6522 NPC307456
Remote Similarity 0.6522 NPC86966
Remote Similarity 0.6483 NPC208022
Remote Similarity 0.6456 NPC70549
Remote Similarity 0.6449 NPC112823
Remote Similarity 0.6447 NPC473874
Remote Similarity 0.6439 NPC226914
Remote Similarity 0.6438 NPC91615
Remote Similarity 0.6423 NPC476483
Remote Similarity 0.641 NPC284348
Remote Similarity 0.6392 NPC112766
Remote Similarity 0.6385 NPC231705
Remote Similarity 0.6375 NPC231862
Remote Similarity 0.634 NPC470824
Remote Similarity 0.6336 NPC142297
Remote Similarity 0.6316 NPC329358
Remote Similarity 0.6309 NPC126637
Remote Similarity 0.6275 NPC323798
Remote Similarity 0.6267 NPC469828
Remote Similarity 0.6258 NPC220523
Remote Similarity 0.625 NPC118202
Remote Similarity 0.6241 NPC258056
Remote Similarity 0.6241 NPC474862
Remote Similarity 0.6235 NPC57105
Remote Similarity 0.6225 NPC204156
Remote Similarity 0.6218 NPC257142
Remote Similarity 0.6207 NPC259098
Remote Similarity 0.6207 NPC197680
Remote Similarity 0.6204 NPC317254
Remote Similarity 0.6203 NPC184161
Remote Similarity 0.6194 NPC474149
Remote Similarity 0.6173 NPC306366
Remote Similarity 0.617 NPC324702
Remote Similarity 0.6165 NPC24101
Remote Similarity 0.6165 NPC96224
Remote Similarity 0.6164 NPC226662
Remote Similarity 0.6154 NPC161292
Remote Similarity 0.6154 NPC178681
Remote Similarity 0.6135 NPC79911
Remote Similarity 0.6118 NPC314252
Remote Similarity 0.6111 NPC325013
Remote Similarity 0.6108 NPC83241
Remote Similarity 0.6104 NPC168750
Remote Similarity 0.6101 NPC153769
Remote Similarity 0.609 NPC37584
Remote Similarity 0.6087 NPC477889
Remote Similarity 0.6087 NPC10875
Remote Similarity 0.6087 NPC10730
Remote Similarity 0.6082 NPC166169
Remote Similarity 0.6074 NPC120798
Remote Similarity 0.6071 NPC225381
Remote Similarity 0.6069 NPC302235
Remote Similarity 0.6065 NPC260601
Remote Similarity 0.6049 NPC116573
Remote Similarity 0.6048 NPC78154
Remote Similarity 0.6045 NPC153690
Remote Similarity 0.6043 NPC82963
Remote Similarity 0.6043 NPC147957
Remote Similarity 0.6036 NPC95412
Remote Similarity 0.6028 NPC319950
Remote Similarity 0.6028 NPC283760
Remote Similarity 0.6026 NPC159589
Remote Similarity 0.6014 NPC142599
Remote Similarity 0.6013 NPC181526
Remote Similarity 0.6 NPC219383
Remote Similarity 0.6 NPC38458
Remote Similarity 0.6 NPC289381
Remote Similarity 0.6 NPC29601
Remote Similarity 0.6 NPC290566
Remote Similarity 0.6 NPC145638
Remote Similarity 0.6 NPC311737
Remote Similarity 0.6 NPC316052
Remote Similarity 0.6 NPC155847
Remote Similarity 0.6 NPC205946
Remote Similarity 0.5988 NPC478032
Remote Similarity 0.5987 NPC43218
Remote Similarity 0.5986 NPC160120
Remote Similarity 0.5986 NPC53596
Remote Similarity 0.5986 NPC41801
Remote Similarity 0.5986 NPC17388
Remote Similarity 0.5986 NPC289330
Remote Similarity 0.5986 NPC471308
Remote Similarity 0.5971 NPC213
Remote Similarity 0.5971 NPC10286
Remote Similarity 0.5969 NPC107619
Remote Similarity 0.5968 NPC104216
Remote Similarity 0.5964 NPC204179
Remote Similarity 0.5957 NPC5932
Remote Similarity 0.5944 NPC473051
Remote Similarity 0.5944 NPC473050
Remote Similarity 0.5943 NPC313886
Remote Similarity 0.5935 NPC476462
Remote Similarity 0.593 NPC316161
Remote Similarity 0.5929 NPC258992
Remote Similarity 0.5928 NPC314861
Remote Similarity 0.5928 NPC19555
Remote Similarity 0.5915 NPC291359
Remote Similarity 0.5913 NPC100980
Remote Similarity 0.5906 NPC325292
Remote Similarity 0.5906 NPC138117
Remote Similarity 0.5899 NPC470550
Remote Similarity 0.5896 NPC249662
Remote Similarity 0.5894 NPC184437
Remote Similarity 0.589 NPC315257
Remote Similarity 0.589 NPC62101
Remote Similarity 0.589 NPC95733
Remote Similarity 0.5887 NPC137096
Remote Similarity 0.5886 NPC477392
Remote Similarity 0.5886 NPC315934
Remote Similarity 0.5879 NPC19023
Remote Similarity 0.5879 NPC235628
Remote Similarity 0.5878 NPC101372
Remote Similarity 0.5874 NPC252817
Remote Similarity 0.5873 NPC300017
Remote Similarity 0.5862 NPC471314
Remote Similarity 0.5862 NPC471315
Remote Similarity 0.5857 NPC37302
Remote Similarity 0.5848 NPC95898
Remote Similarity 0.5847 NPC65517
Remote Similarity 0.5843 NPC289776
Remote Similarity 0.5843 NPC188104
Remote Similarity 0.5843 NPC191863
Remote Similarity 0.5843 NPC133470
Remote Similarity 0.5843 NPC72291
Remote Similarity 0.5833 NPC127362
Remote Similarity 0.5829 NPC272375
Remote Similarity 0.5828 NPC208757
Remote Similarity 0.5828 NPC174421
Remote Similarity 0.5823 NPC471598
Remote Similarity 0.5814 NPC313650
Remote Similarity 0.5809 NPC146530
Remote Similarity 0.5802 NPC275104
Remote Similarity 0.5802 NPC125732
Remote Similarity 0.5799 NPC44161
Remote Similarity 0.5796 NPC60553
Remote Similarity 0.5794 NPC92689
Remote Similarity 0.5793 NPC27581
Remote Similarity 0.5789 NPC163810
Remote Similarity 0.5786 NPC146370
Remote Similarity 0.5786 NPC205652
Remote Similarity 0.5776 NPC241392
Remote Similarity 0.5776 NPC66775
Remote Similarity 0.5775 NPC283468
Remote Similarity 0.5775 NPC323948
Remote Similarity 0.5772 NPC296712
Remote Similarity 0.5767 NPC36168
Remote Similarity 0.5765 NPC477888
Remote Similarity 0.5765 NPC473764
Remote Similarity 0.5765 NPC314940
Remote Similarity 0.5765 NPC257354
Remote Similarity 0.5765 NPC288430
Remote Similarity 0.5764 NPC263835
Remote Similarity 0.5763 NPC477391
Remote Similarity 0.5762 NPC308885
Remote Similarity 0.5762 NPC255550
Remote Similarity 0.5754 NPC110741
Remote Similarity 0.5752 NPC317872
Remote Similarity 0.5748 NPC47950
Remote Similarity 0.5748 NPC300478
Remote Similarity 0.5748 NPC312304
Remote Similarity 0.5745 NPC303370
Remote Similarity 0.5743 NPC29477
Remote Similarity 0.5743 NPC476249
Remote Similarity 0.5742 NPC476475
Remote Similarity 0.5742 NPC471201
Remote Similarity 0.5741 NPC322283
Remote Similarity 0.5734 NPC122009
Remote Similarity 0.5733 NPC478147
Remote Similarity 0.5732 NPC63562
Remote Similarity 0.5732 NPC318935
Remote Similarity 0.5726 NPC248817
Remote Similarity 0.5725 NPC474073

Drug Structure

External Identifiers

TTD  
DrugBank   DB08928
ChEMBL   CHEMBL1788384
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07356
PubChem CID  
ChEBI   135465
CAS Number  119-96-0

Drug Properties

Molecular Weight  346.96
ALogP  0.1617
MLogP  1.9
XLogP  1.641
HDA  3
HBD  3
Rotatable Bonds  7
TPSA  123.65
RO5 Violation  0