NPASS drugs

Drug Information

Drug ID:	NPD9184
Drug Name:	Mafenide Acetate
Molecular Formula:	C7H10N2O2S.C2H4O2
Canonical SMILES:	CC(=O)O.NCc1ccc(cc1)S(=O)(=O)N
Standard InCHI:	InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)
Standard InCHIKey:	UILOTUUZKGTYFQ-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9184

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	195
0.1-0.2	5339
0.2-0.3	12010
0.3-0.4	10818
0.4-0.5	2101
0.5-0.6	354
0.6-0.7	59
0.7-0.8	13
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	0.8	NPC317400
Intermediate Similarity	0.7927	NPC219246
Intermediate Similarity	0.7882	NPC35599
Intermediate Similarity	0.7882	NPC302129
Intermediate Similarity	0.7386	NPC98269
Intermediate Similarity	0.7386	NPC325662
Intermediate Similarity	0.7368	NPC315403
Intermediate Similarity	0.7303	NPC12857
Intermediate Similarity	0.7294	NPC229235
Intermediate Similarity	0.7241	NPC299134
Intermediate Similarity	0.7097	NPC119677
Intermediate Similarity	0.7045	NPC112609
Intermediate Similarity	0.7045	NPC122327
Intermediate Similarity	0.7045	NPC113000
Remote Similarity	0.6966	NPC98976
Remote Similarity	0.6966	NPC276699
Remote Similarity	0.6932	NPC244738
Remote Similarity	0.6903	NPC476440
Remote Similarity	0.6889	NPC139658
Remote Similarity	0.6889	NPC271642
Remote Similarity	0.686	NPC181786
Remote Similarity	0.6842	NPC169016
Remote Similarity	0.6813	NPC290638
Remote Similarity	0.6804	NPC43655
Remote Similarity	0.6701	NPC258046
Remote Similarity	0.6667	NPC181390
Remote Similarity	0.6667	NPC107135
Remote Similarity	0.6556	NPC212463
Remote Similarity	0.6505	NPC108339
Remote Similarity	0.6442	NPC471320
Remote Similarity	0.6442	NPC471319
Remote Similarity	0.6408	NPC469330
Remote Similarity	0.6392	NPC104070
Remote Similarity	0.6392	NPC474088
Remote Similarity	0.6353	NPC45255
Remote Similarity	0.63	NPC473031
Remote Similarity	0.63	NPC262295
Remote Similarity	0.627	NPC32858
Remote Similarity	0.627	NPC194857
Remote Similarity	0.625	NPC322040
Remote Similarity	0.6204	NPC328793
Remote Similarity	0.619	NPC329430
Remote Similarity	0.618	NPC52330
Remote Similarity	0.6176	NPC173991
Remote Similarity	0.6176	NPC470877
Remote Similarity	0.6154	NPC473661
Remote Similarity	0.6145	NPC149436
Remote Similarity	0.6145	NPC277704
Remote Similarity	0.6139	NPC471638
Remote Similarity	0.6117	NPC471307
Remote Similarity	0.6117	NPC209764
Remote Similarity	0.6117	NPC191444
Remote Similarity	0.6117	NPC74936
Remote Similarity	0.6117	NPC121872
Remote Similarity	0.6117	NPC78041
Remote Similarity	0.6117	NPC159178
Remote Similarity	0.6117	NPC141139
Remote Similarity	0.6087	NPC121708
Remote Similarity	0.6087	NPC125144
Remote Similarity	0.6082	NPC475573
Remote Similarity	0.6082	NPC475289
Remote Similarity	0.6078	NPC111233
Remote Similarity	0.6078	NPC30445
Remote Similarity	0.6071	NPC269586
Remote Similarity	0.6071	NPC198841
Remote Similarity	0.6067	NPC36440
Remote Similarity	0.6055	NPC29601
Remote Similarity	0.6023	NPC50266
Remote Similarity	0.6019	NPC176858
Remote Similarity	0.6	NPC212114
Remote Similarity	0.6	NPC65873
Remote Similarity	0.6	NPC300345
Remote Similarity	0.6	NPC120441
Remote Similarity	0.598	NPC53492
Remote Similarity	0.598	NPC60408
Remote Similarity	0.5943	NPC7067
Remote Similarity	0.5943	NPC291070
Remote Similarity	0.5943	NPC471309
Remote Similarity	0.5943	NPC246757
Remote Similarity	0.593	NPC8235
Remote Similarity	0.593	NPC36357
Remote Similarity	0.593	NPC114327
Remote Similarity	0.5926	NPC122493
Remote Similarity	0.5926	NPC10781
Remote Similarity	0.5926	NPC293628
Remote Similarity	0.5922	NPC297532
Remote Similarity	0.5905	NPC470926
Remote Similarity	0.5905	NPC245259
Remote Similarity	0.5905	NPC226438
Remote Similarity	0.5895	NPC301874
Remote Similarity	0.5893	NPC469974
Remote Similarity	0.5888	NPC20142
Remote Similarity	0.5888	NPC215351
Remote Similarity	0.5882	NPC218710
Remote Similarity	0.5882	NPC203076
Remote Similarity	0.587	NPC5324
Remote Similarity	0.5862	NPC147062
Remote Similarity	0.5862	NPC169110
Remote Similarity	0.5859	NPC231986
Remote Similarity	0.5849	NPC108800
Remote Similarity	0.5842	NPC133162
Remote Similarity	0.5839	NPC313850
Remote Similarity	0.5825	NPC305602
Remote Similarity	0.5825	NPC17497
Remote Similarity	0.5814	NPC469807
Remote Similarity	0.581	NPC78154
Remote Similarity	0.5806	NPC271732
Remote Similarity	0.5804	NPC164859
Remote Similarity	0.5795	NPC248705
Remote Similarity	0.5795	NPC238023
Remote Similarity	0.5795	NPC210849
Remote Similarity	0.5795	NPC135924
Remote Similarity	0.5795	NPC246588
Remote Similarity	0.5795	NPC310758
Remote Similarity	0.5795	NPC54368
Remote Similarity	0.5795	NPC150196
Remote Similarity	0.5794	NPC71140
Remote Similarity	0.5781	NPC328590
Remote Similarity	0.578	NPC324569
Remote Similarity	0.5776	NPC172046
Remote Similarity	0.5769	NPC12429
Remote Similarity	0.5758	NPC192623
Remote Similarity	0.5758	NPC309279
Remote Similarity	0.5747	NPC64270
Remote Similarity	0.5741	NPC161972
Remote Similarity	0.5741	NPC303045
Remote Similarity	0.573	NPC71009
Remote Similarity	0.573	NPC22786
Remote Similarity	0.573	NPC200745
Remote Similarity	0.573	NPC66517
Remote Similarity	0.573	NPC29680
Remote Similarity	0.5727	NPC226096
Remote Similarity	0.5727	NPC164514
Remote Similarity	0.5727	NPC290515
Remote Similarity	0.5727	NPC303611
Remote Similarity	0.5727	NPC108606
Remote Similarity	0.5699	NPC200936
Remote Similarity	0.5688	NPC25565
Remote Similarity	0.5682	NPC147578
Remote Similarity	0.5676	NPC125732
Remote Similarity	0.5667	NPC21211
Remote Similarity	0.5667	NPC113670
Remote Similarity	0.5667	NPC88566
Remote Similarity	0.5664	NPC202613
Remote Similarity	0.5664	NPC471317
Remote Similarity	0.566	NPC316108
Remote Similarity	0.566	NPC172128
Remote Similarity	0.5656	NPC254088
Remote Similarity	0.5652	NPC327481
Remote Similarity	0.5644	NPC14326
Remote Similarity	0.5636	NPC475439
Remote Similarity	0.5636	NPC311242
Remote Similarity	0.5636	NPC473501
Remote Similarity	0.5631	NPC3210
Remote Similarity	0.5625	NPC66775
Remote Similarity	0.562	NPC101139
Remote Similarity	0.5618	NPC200624
Remote Similarity	0.5604	NPC198023
Remote Similarity	0.5604	NPC155172
Remote Similarity	0.5604	NPC291066
Remote Similarity	0.5604	NPC32312

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	186.05
ALogP	-1.6748
MLogP	1.68
XLogP	-0.207
HDA	4
HBD	2
Rotatable Bonds	4
TPSA	94.56
RO5 Violation	0