Drug Information

Drug ID:  NPD9072
Drug Name:  
Molecular Formula:  C6H5AsO
Canonical SMILES:  O=[As]c1ccccc1
Standard InCHI:  InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
Standard InCHIKey:  BQVCCPGCDUSGOE-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9072

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 0.8367 NPC11150
Intermediate Similarity 0.7069 NPC149436
Intermediate Similarity 0.7069 NPC56072
Intermediate Similarity 0.7069 NPC277704
Remote Similarity 0.6949 NPC269586
Remote Similarity 0.6949 NPC198841
Remote Similarity 0.6833 NPC65873
Remote Similarity 0.6833 NPC120441
Remote Similarity 0.6833 NPC212114
Remote Similarity 0.6833 NPC300345
Remote Similarity 0.6833 NPC469807
Remote Similarity 0.6721 NPC36357
Remote Similarity 0.6721 NPC8235
Remote Similarity 0.6721 NPC18259
Remote Similarity 0.6721 NPC119076
Remote Similarity 0.6721 NPC114327
Remote Similarity 0.6613 NPC169110
Remote Similarity 0.6613 NPC147578
Remote Similarity 0.6613 NPC147062
Remote Similarity 0.6508 NPC248705
Remote Similarity 0.6508 NPC150196
Remote Similarity 0.6508 NPC200624
Remote Similarity 0.6508 NPC135924
Remote Similarity 0.6508 NPC210849
Remote Similarity 0.6508 NPC134584
Remote Similarity 0.6508 NPC45255
Remote Similarity 0.6508 NPC54368
Remote Similarity 0.6508 NPC246588
Remote Similarity 0.6508 NPC310758
Remote Similarity 0.6508 NPC238023
Remote Similarity 0.6452 NPC64270
Remote Similarity 0.6406 NPC71009
Remote Similarity 0.6406 NPC66517
Remote Similarity 0.6406 NPC200745
Remote Similarity 0.6406 NPC22786
Remote Similarity 0.6406 NPC29680
Remote Similarity 0.6308 NPC21211
Remote Similarity 0.6308 NPC88566
Remote Similarity 0.6308 NPC50266
Remote Similarity 0.6308 NPC22627
Remote Similarity 0.6308 NPC113670
Remote Similarity 0.6212 NPC155172
Remote Similarity 0.6212 NPC198023
Remote Similarity 0.6212 NPC291066
Remote Similarity 0.6212 NPC32312
Remote Similarity 0.6176 NPC311343
Remote Similarity 0.6176 NPC78954
Remote Similarity 0.6176 NPC82770
Remote Similarity 0.6176 NPC239931
Remote Similarity 0.6176 NPC181786
Remote Similarity 0.6119 NPC178527
Remote Similarity 0.6119 NPC36440
Remote Similarity 0.6087 NPC235059
Remote Similarity 0.6087 NPC16190
Remote Similarity 0.6087 NPC98880
Remote Similarity 0.6087 NPC169222
Remote Similarity 0.6061 NPC45756
Remote Similarity 0.6029 NPC52330
Remote Similarity 0.6029 NPC6107
Remote Similarity 0.6029 NPC267443
Remote Similarity 0.6 NPC95289
Remote Similarity 0.597 NPC264470
Remote Similarity 0.5915 NPC326200
Remote Similarity 0.5915 NPC125144
Remote Similarity 0.5915 NPC215445
Remote Similarity 0.5915 NPC155429
Remote Similarity 0.5915 NPC74458
Remote Similarity 0.5915 NPC121708
Remote Similarity 0.5915 NPC208302
Remote Similarity 0.5882 NPC113837
Remote Similarity 0.5882 NPC289915
Remote Similarity 0.5857 NPC5324
Remote Similarity 0.5857 NPC200936
Remote Similarity 0.5857 NPC473206
Remote Similarity 0.5857 NPC246822
Remote Similarity 0.5857 NPC213570
Remote Similarity 0.5857 NPC139416
Remote Similarity 0.5833 NPC285679
Remote Similarity 0.5833 NPC271437
Remote Similarity 0.5775 NPC72670
Remote Similarity 0.5775 NPC271732
Remote Similarity 0.5775 NPC251490
Remote Similarity 0.5775 NPC263385
Remote Similarity 0.5775 NPC229235
Remote Similarity 0.5775 NPC219246
Remote Similarity 0.5753 NPC100980
Remote Similarity 0.5753 NPC108218
Remote Similarity 0.5753 NPC208075
Remote Similarity 0.5714 NPC22760
Remote Similarity 0.5694 NPC158028
Remote Similarity 0.5694 NPC280135
Remote Similarity 0.5694 NPC39799
Remote Similarity 0.5694 NPC87099
Remote Similarity 0.5694 NPC193578
Remote Similarity 0.5694 NPC226999
Remote Similarity 0.5694 NPC1008
Remote Similarity 0.5694 NPC135433
Remote Similarity 0.5676 NPC32203
Remote Similarity 0.5676 NPC206800
Remote Similarity 0.5676 NPC189371
Remote Similarity 0.5634 NPC297358
Remote Similarity 0.5616 NPC212463
Remote Similarity 0.5616 NPC244738
Remote Similarity 0.5616 NPC1901
Remote Similarity 0.5616 NPC54269
Remote Similarity 0.56 NPC35599
Remote Similarity 0.56 NPC78500
Remote Similarity 0.56 NPC175393
Remote Similarity 0.56 NPC302129

Drug Structure

External Identifiers

TTD   DCL000134
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4778
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  167.96
ALogP  
MLogP  1.9
XLogP  
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  17.07
RO5 Violation  0