NPASS drugs

Drug Information

Drug ID:	NPD154
Drug Name:	Suritozole
Molecular Formula:	C10H10FN3S
Canonical SMILES:	Fc1cccc(c1)c1nn(c(=S)n1C)C
Standard InCHI:	InChI=1S/C10H10FN3S/c1-13-9(12-14(2)10(13)15)7-4-3-5-8(11)6-7/h3-6H,1-2H3
Standard InCHIKey:	IWDUZEHNLHFBRZ-UHFFFAOYSA-N
Max Developmental Stage:	Discontinued
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD154

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	474
0.1-0.2	6502
0.2-0.3	12927
0.3-0.4	8762
0.4-0.5	1915
0.5-0.6	278
0.6-0.7	30
0.7-0.8	2
0.8-0.85	0
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	0.7083	NPC98976
Intermediate Similarity	0.701	NPC271642
Remote Similarity	0.6852	NPC469330
Remote Similarity	0.6852	NPC322040
Remote Similarity	0.6804	NPC299134
Remote Similarity	0.67	NPC12857
Remote Similarity	0.6697	NPC7067
Remote Similarity	0.6609	NPC469974
Remote Similarity	0.6557	NPC288232
Remote Similarity	0.6538	NPC104070
Remote Similarity	0.6531	NPC244738
Remote Similarity	0.6429	NPC471320
Remote Similarity	0.6429	NPC471319
Remote Similarity	0.6387	NPC164802
Remote Similarity	0.6339	NPC108339
Remote Similarity	0.626	NPC187036
Remote Similarity	0.626	NPC296163
Remote Similarity	0.625	NPC471309
Remote Similarity	0.6226	NPC474088
Remote Similarity	0.6176	NPC139658
Remote Similarity	0.6168	NPC169016
Remote Similarity	0.6162	NPC219246
Remote Similarity	0.6154	NPC329375
Remote Similarity	0.6147	NPC473031
Remote Similarity	0.6129	NPC314141
Remote Similarity	0.6117	NPC325662
Remote Similarity	0.6117	NPC98269
Remote Similarity	0.6071	NPC470926
Remote Similarity	0.6063	NPC192209
Remote Similarity	0.6055	NPC258046
Remote Similarity	0.6038	NPC231986
Remote Similarity	0.6036	NPC470877
Remote Similarity	0.5982	NPC121872
Remote Similarity	0.5982	NPC78041
Remote Similarity	0.5982	NPC159178
Remote Similarity	0.5982	NPC74936
Remote Similarity	0.5982	NPC209764
Remote Similarity	0.5982	NPC471307
Remote Similarity	0.5982	NPC141139
Remote Similarity	0.5877	NPC473661
Remote Similarity	0.5868	NPC143516
Remote Similarity	0.5842	NPC229235
Remote Similarity	0.5841	NPC476160
Remote Similarity	0.5841	NPC316108
Remote Similarity	0.584	NPC475013
Remote Similarity	0.5825	NPC112609
Remote Similarity	0.5825	NPC113000
Remote Similarity	0.5825	NPC122327
Remote Similarity	0.5821	NPC52764
Remote Similarity	0.582	NPC474973
Remote Similarity	0.582	NPC474804
Remote Similarity	0.582	NPC130898
Remote Similarity	0.5794	NPC475289
Remote Similarity	0.5794	NPC475573
Remote Similarity	0.5784	NPC121708
Remote Similarity	0.5784	NPC125144
Remote Similarity	0.578	NPC119677
Remote Similarity	0.5769	NPC264580
Remote Similarity	0.5769	NPC276699
Remote Similarity	0.575	NPC291610
Remote Similarity	0.5748	NPC476048
Remote Similarity	0.5738	NPC474695
Remote Similarity	0.5726	NPC473676
Remote Similarity	0.5714	NPC471638
Remote Similarity	0.5702	NPC78154
Remote Similarity	0.5692	NPC313449
Remote Similarity	0.5691	NPC471447
Remote Similarity	0.569	NPC71140
Remote Similarity	0.5672	NPC283130
Remote Similarity	0.5672	NPC328683
Remote Similarity	0.5664	NPC12429
Remote Similarity	0.566	NPC290638
Remote Similarity	0.5652	NPC245259
Remote Similarity	0.5641	NPC329430
Remote Similarity	0.5625	NPC203076
Remote Similarity	0.562	NPC239854
Remote Similarity	0.56	NPC302790

Drug Structure

External Identifiers

TTD	DIB016076
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	223.06
ALogP	0.9904
MLogP	2.01
XLogP	3.339
HDA	3
HBD	0
Rotatable Bonds	4
TPSA	50.93
RO5 Violation	0