NPASS drugs

Drug Information

Drug ID:	NPD2354
Drug Name:	Fenofibric Acid
Molecular Formula:	C17H15ClO4
Canonical SMILES:	Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C
Standard InCHI:	InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
Standard InCHIKey:	MQOBSOSZFYZQOK-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD2354

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	248
0.1-0.2	1258
0.2-0.3	2944
0.3-0.4	7286
0.4-0.5	5970
0.5-0.6	3737
0.6-0.7	7657
0.7-0.8	1787
0.8-0.85	3
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	0.8239	NPC11173
Intermediate Similarity	0.8117	NPC282294
Intermediate Similarity	0.8095	NPC86087
Intermediate Similarity	0.7973	NPC284409
Intermediate Similarity	0.7933	NPC182475
Intermediate Similarity	0.7902	NPC2596
Intermediate Similarity	0.7868	NPC470860
Intermediate Similarity	0.7838	NPC64230
Intermediate Similarity	0.7838	NPC71638
Intermediate Similarity	0.7826	NPC264976
Intermediate Similarity	0.7815	NPC184053
Intermediate Similarity	0.781	NPC469954
Intermediate Similarity	0.7801	NPC14141
Intermediate Similarity	0.7801	NPC473942
Intermediate Similarity	0.7794	NPC51345
Intermediate Similarity	0.7793	NPC86774
Intermediate Similarity	0.7793	NPC109778
Intermediate Similarity	0.7793	NPC327457
Intermediate Similarity	0.7778	NPC2401
Intermediate Similarity	0.7756	NPC477941
Intermediate Similarity	0.7748	NPC326065
Intermediate Similarity	0.7746	NPC89630
Intermediate Similarity	0.7746	NPC221798
Intermediate Similarity	0.7742	NPC129650
Intermediate Similarity	0.773	NPC291189
Intermediate Similarity	0.773	NPC69403
Intermediate Similarity	0.7724	NPC473019
Intermediate Similarity	0.7712	NPC473090
Intermediate Similarity	0.7692	NPC211811
Intermediate Similarity	0.7682	NPC473988
Intermediate Similarity	0.7677	NPC229190
Intermediate Similarity	0.7671	NPC66905
Intermediate Similarity	0.7662	NPC470216
Intermediate Similarity	0.7658	NPC295650
Intermediate Similarity	0.7639	NPC475236
Intermediate Similarity	0.7628	NPC472918
Intermediate Similarity	0.7626	NPC471033
Intermediate Similarity	0.7626	NPC311091
Intermediate Similarity	0.7619	NPC104854
Intermediate Similarity	0.7613	NPC291153
Intermediate Similarity	0.7606	NPC27198
Intermediate Similarity	0.7603	NPC473247
Intermediate Similarity	0.7595	NPC267117
Intermediate Similarity	0.7586	NPC121104
Intermediate Similarity	0.7586	NPC37512
Intermediate Similarity	0.7571	NPC61779
Intermediate Similarity	0.7569	NPC88403
Intermediate Similarity	0.7569	NPC165556
Intermediate Similarity	0.7568	NPC273984
Intermediate Similarity	0.7564	NPC153758
Intermediate Similarity	0.7552	NPC93730
Intermediate Similarity	0.7551	NPC30390
Intermediate Similarity	0.7551	NPC282230
Intermediate Similarity	0.7551	NPC183348
Intermediate Similarity	0.7547	NPC471229
Intermediate Similarity	0.7534	NPC217431
Intermediate Similarity	0.7532	NPC136840
Intermediate Similarity	0.7532	NPC277032
Intermediate Similarity	0.7517	NPC66158
Intermediate Similarity	0.7517	NPC287533
Intermediate Similarity	0.7516	NPC122828
Intermediate Similarity	0.7516	NPC14875
Intermediate Similarity	0.7516	NPC211466
Intermediate Similarity	0.7516	NPC176869
Intermediate Similarity	0.7516	NPC44721
Intermediate Similarity	0.7516	NPC40086
Intermediate Similarity	0.7516	NPC3779
Intermediate Similarity	0.7516	NPC476182
Intermediate Similarity	0.7516	NPC472969
Intermediate Similarity	0.7516	NPC80489
Intermediate Similarity	0.75	NPC15083
Intermediate Similarity	0.75	NPC469953
Intermediate Similarity	0.75	NPC107846
Intermediate Similarity	0.75	NPC125153
Intermediate Similarity	0.75	NPC103001
Intermediate Similarity	0.75	NPC474044
Intermediate Similarity	0.75	NPC23332
Intermediate Similarity	0.75	NPC71210
Intermediate Similarity	0.75	NPC470977
Intermediate Similarity	0.75	NPC196979
Intermediate Similarity	0.75	NPC254841
Intermediate Similarity	0.75	NPC470976
Intermediate Similarity	0.7484	NPC116822
Intermediate Similarity	0.7484	NPC304956
Intermediate Similarity	0.7484	NPC471520
Intermediate Similarity	0.7483	NPC163029
Intermediate Similarity	0.7483	NPC66246
Intermediate Similarity	0.7483	NPC294470
Intermediate Similarity	0.7483	NPC170546
Intermediate Similarity	0.7483	NPC139171
Intermediate Similarity	0.7483	NPC238309
Intermediate Similarity	0.7482	NPC19290
Intermediate Similarity	0.7468	NPC280025
Intermediate Similarity	0.7468	NPC59951
Intermediate Similarity	0.7468	NPC146679
Intermediate Similarity	0.7468	NPC476394
Intermediate Similarity	0.7468	NPC103342
Intermediate Similarity	0.7468	NPC474037
Intermediate Similarity	0.7468	NPC184536
Intermediate Similarity	0.7468	NPC269652
Intermediate Similarity	0.7468	NPC103904
Intermediate Similarity	0.7468	NPC230285
Intermediate Similarity	0.7468	NPC98809
Intermediate Similarity	0.7468	NPC281207
Intermediate Similarity	0.7468	NPC235239
Intermediate Similarity	0.7467	NPC144662
Intermediate Similarity	0.7453	NPC203080
Intermediate Similarity	0.7452	NPC1940
Intermediate Similarity	0.7452	NPC148011
Intermediate Similarity	0.7451	NPC124269
Intermediate Similarity	0.7451	NPC288452
Intermediate Similarity	0.7451	NPC289690
Intermediate Similarity	0.7451	NPC276905
Intermediate Similarity	0.745	NPC66384
Intermediate Similarity	0.745	NPC189106
Intermediate Similarity	0.745	NPC112192
Intermediate Similarity	0.745	NPC302844
Intermediate Similarity	0.745	NPC309717
Intermediate Similarity	0.745	NPC128348
Intermediate Similarity	0.745	NPC153453
Intermediate Similarity	0.745	NPC164236
Intermediate Similarity	0.7448	NPC52035
Intermediate Similarity	0.7439	NPC471744
Intermediate Similarity	0.7436	NPC53884
Intermediate Similarity	0.7436	NPC258671
Intermediate Similarity	0.7436	NPC113397
Intermediate Similarity	0.7434	NPC471069
Intermediate Similarity	0.7434	NPC471068
Intermediate Similarity	0.7432	NPC2989
Intermediate Similarity	0.7432	NPC172673
Intermediate Similarity	0.7432	NPC247779
Intermediate Similarity	0.7426	NPC183648
Intermediate Similarity	0.7423	NPC161650
Intermediate Similarity	0.7423	NPC210048
Intermediate Similarity	0.7421	NPC473091
Intermediate Similarity	0.7419	NPC28326
Intermediate Similarity	0.7419	NPC205006
Intermediate Similarity	0.7419	NPC90582
Intermediate Similarity	0.7419	NPC103362
Intermediate Similarity	0.7419	NPC262094
Intermediate Similarity	0.7419	NPC310128
Intermediate Similarity	0.7419	NPC64908
Intermediate Similarity	0.7419	NPC147688
Intermediate Similarity	0.7419	NPC156590
Intermediate Similarity	0.7419	NPC118840
Intermediate Similarity	0.7417	NPC204592
Intermediate Similarity	0.7417	NPC303217
Intermediate Similarity	0.7415	NPC226661
Intermediate Similarity	0.741	NPC220540
Intermediate Similarity	0.7407	NPC473241
Intermediate Similarity	0.7407	NPC268008
Intermediate Similarity	0.7405	NPC180477
Intermediate Similarity	0.7405	NPC294972
Intermediate Similarity	0.7403	NPC28398
Intermediate Similarity	0.7403	NPC152042
Intermediate Similarity	0.7403	NPC230902
Intermediate Similarity	0.7403	NPC143799
Intermediate Similarity	0.7403	NPC80098
Intermediate Similarity	0.7403	NPC241838
Intermediate Similarity	0.7403	NPC79908
Intermediate Similarity	0.7403	NPC136095
Intermediate Similarity	0.74	NPC19719
Intermediate Similarity	0.74	NPC477281
Intermediate Similarity	0.74	NPC477280
Intermediate Similarity	0.7397	NPC237868
Intermediate Similarity	0.7394	NPC112418
Intermediate Similarity	0.7391	NPC35567
Intermediate Similarity	0.7391	NPC137813
Intermediate Similarity	0.7391	NPC171651
Intermediate Similarity	0.7391	NPC210597
Intermediate Similarity	0.7391	NPC243171
Intermediate Similarity	0.7391	NPC304954
Intermediate Similarity	0.7391	NPC60211
Intermediate Similarity	0.7389	NPC208176
Intermediate Similarity	0.7389	NPC142731
Intermediate Similarity	0.7389	NPC62290
Intermediate Similarity	0.7389	NPC279417
Intermediate Similarity	0.7389	NPC326506
Intermediate Similarity	0.7389	NPC4152
Intermediate Similarity	0.7389	NPC49130
Intermediate Similarity	0.7389	NPC306607
Intermediate Similarity	0.7386	NPC471071
Intermediate Similarity	0.7386	NPC299379
Intermediate Similarity	0.7386	NPC62735
Intermediate Similarity	0.7386	NPC471072
Intermediate Similarity	0.7386	NPC266597
Intermediate Similarity	0.7386	NPC228661
Intermediate Similarity	0.7386	NPC188879
Intermediate Similarity	0.7386	NPC471070
Intermediate Similarity	0.7386	NPC250266
Intermediate Similarity	0.7386	NPC221046
Intermediate Similarity	0.7386	NPC160972
Intermediate Similarity	0.7383	NPC108553
Intermediate Similarity	0.7378	NPC311574
Intermediate Similarity	0.7378	NPC264932
Intermediate Similarity	0.7376	NPC152159
Intermediate Similarity	0.7376	NPC293424
Intermediate Similarity	0.7375	NPC472421
Intermediate Similarity	0.7372	NPC36181
Intermediate Similarity	0.7372	NPC200694

Drug Structure

NPD2354 OpenBabel08211702172D 23 24 0 0 0 0 0 0 0 0999 V2000 0.1340 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 3.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 11 2 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 2 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 21 23 1 0 0 0 0 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	318.07
ALogP	0.6807
MLogP	2.78
XLogP	4.081
HDA	3
HBD	1
Rotatable Bonds	9
TPSA	63.6
RO5 Violation	0