NPASS drugs

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.

Range	Similarity Score Range
0-0.1	1433
0.1-0.2	7582
0.2-0.3	14665
0.3-0.4	6044
0.4-0.5	904
0.5-0.6	201
0.6-0.7	57
0.7-0.8	3
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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