NPASS drugs

Drug Information

Drug ID:	NPD2357
Drug Name:	Tedizolid
Molecular Formula:	C17H15FN6O3
Canonical SMILES:	OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C
Standard InCHI:	InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1
Standard InCHIKey:	XFALPSLJIHVRKE-GFCCVEGCSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD2357

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	286
0.1-0.2	3060
0.2-0.3	16530
0.3-0.4	7099
0.4-0.5	1746
0.5-0.6	1640
0.6-0.7	525
0.7-0.8	4
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	0.715	NPC12649
Intermediate Similarity	0.7114	NPC24864
Intermediate Similarity	0.7085	NPC317054
Intermediate Similarity	0.7026	NPC478185
Remote Similarity	0.699	NPC478182
Remote Similarity	0.6934	NPC212213
Remote Similarity	0.6923	NPC293487
Remote Similarity	0.6893	NPC62510
Remote Similarity	0.6859	NPC470111
Remote Similarity	0.6854	NPC239954
Remote Similarity	0.6849	NPC478158
Remote Similarity	0.6834	NPC478183
Remote Similarity	0.6825	NPC198673
Remote Similarity	0.6818	NPC478184
Remote Similarity	0.6796	NPC48938
Remote Similarity	0.6776	NPC168911
Remote Similarity	0.6766	NPC32534
Remote Similarity	0.6766	NPC91895
Remote Similarity	0.6759	NPC475506
Remote Similarity	0.675	NPC56233
Remote Similarity	0.6749	NPC469938
Remote Similarity	0.6749	NPC471579
Remote Similarity	0.6739	NPC476492
Remote Similarity	0.6733	NPC470498
Remote Similarity	0.673	NPC473763
Remote Similarity	0.673	NPC117244
Remote Similarity	0.6728	NPC155143
Remote Similarity	0.6726	NPC54744
Remote Similarity	0.6709	NPC158055
Remote Similarity	0.6698	NPC473640
Remote Similarity	0.6696	NPC478157
Remote Similarity	0.6684	NPC179787
Remote Similarity	0.6684	NPC201380
Remote Similarity	0.6683	NPC284678
Remote Similarity	0.6683	NPC225018
Remote Similarity	0.6651	NPC193761
Remote Similarity	0.665	NPC133261
Remote Similarity	0.665	NPC40779
Remote Similarity	0.6649	NPC321911
Remote Similarity	0.6638	NPC253987
Remote Similarity	0.6635	NPC213629
Remote Similarity	0.6632	NPC63545
Remote Similarity	0.6624	NPC89987
Remote Similarity	0.6622	NPC162860
Remote Similarity	0.662	NPC149708
Remote Similarity	0.6619	NPC94752
Remote Similarity	0.6609	NPC64216
Remote Similarity	0.6608	NPC281049
Remote Similarity	0.6607	NPC75634
Remote Similarity	0.6603	NPC470003
Remote Similarity	0.66	NPC470203
Remote Similarity	0.6598	NPC469811
Remote Similarity	0.6595	NPC107160
Remote Similarity	0.6593	NPC470732
Remote Similarity	0.6593	NPC470731
Remote Similarity	0.659	NPC100321
Remote Similarity	0.659	NPC293917
Remote Similarity	0.6588	NPC17059
Remote Similarity	0.6582	NPC470233
Remote Similarity	0.6577	NPC314957
Remote Similarity	0.6571	NPC188387
Remote Similarity	0.6571	NPC163421
Remote Similarity	0.657	NPC11126
Remote Similarity	0.6567	NPC317105
Remote Similarity	0.6567	NPC311276
Remote Similarity	0.6562	NPC320968
Remote Similarity	0.6561	NPC251722
Remote Similarity	0.6561	NPC314102
Remote Similarity	0.6553	NPC280852
Remote Similarity	0.655	NPC470204
Remote Similarity	0.655	NPC122141
Remote Similarity	0.6548	NPC325903
Remote Similarity	0.6547	NPC107077
Remote Similarity	0.6547	NPC223791
Remote Similarity	0.654	NPC62749
Remote Similarity	0.6533	NPC236711
Remote Similarity	0.6532	NPC54420
Remote Similarity	0.6531	NPC40070
Remote Similarity	0.6524	NPC228835
Remote Similarity	0.6522	NPC68354
Remote Similarity	0.6522	NPC471506
Remote Similarity	0.6516	NPC473376
Remote Similarity	0.6516	NPC470500
Remote Similarity	0.65	NPC135141
Remote Similarity	0.65	NPC477591
Remote Similarity	0.65	NPC92796
Remote Similarity	0.6495	NPC129909
Remote Similarity	0.6494	NPC155444
Remote Similarity	0.6486	NPC238457
Remote Similarity	0.6481	NPC294693
Remote Similarity	0.6476	NPC469358
Remote Similarity	0.6473	NPC472122
Remote Similarity	0.6473	NPC24594
Remote Similarity	0.6471	NPC317701
Remote Similarity	0.6471	NPC256893
Remote Similarity	0.6468	NPC470499
Remote Similarity	0.6468	NPC265576
Remote Similarity	0.6468	NPC474916
Remote Similarity	0.6462	NPC478186
Remote Similarity	0.646	NPC471603
Remote Similarity	0.6459	NPC16659
Remote Similarity	0.6457	NPC473362
Remote Similarity	0.6457	NPC166492
Remote Similarity	0.6453	NPC476491
Remote Similarity	0.645	NPC129721
Remote Similarity	0.645	NPC469762
Remote Similarity	0.6442	NPC326575
Remote Similarity	0.6442	NPC64436
Remote Similarity	0.6442	NPC59269
Remote Similarity	0.6442	NPC473380
Remote Similarity	0.6442	NPC240088
Remote Similarity	0.6441	NPC470505
Remote Similarity	0.6439	NPC116961
Remote Similarity	0.6438	NPC474767
Remote Similarity	0.6436	NPC71079
Remote Similarity	0.6429	NPC287208
Remote Similarity	0.6429	NPC314394
Remote Similarity	0.6426	NPC56109
Remote Similarity	0.6426	NPC191382
Remote Similarity	0.6425	NPC473761
Remote Similarity	0.6425	NPC275305
Remote Similarity	0.6425	NPC37423
Remote Similarity	0.6425	NPC476874
Remote Similarity	0.6425	NPC57398
Remote Similarity	0.6422	NPC49217
Remote Similarity	0.6422	NPC267928
Remote Similarity	0.6422	NPC327095
Remote Similarity	0.6422	NPC312942
Remote Similarity	0.642	NPC472434
Remote Similarity	0.6415	NPC15102
Remote Similarity	0.6411	NPC248462
Remote Similarity	0.6411	NPC265710
Remote Similarity	0.641	NPC314372
Remote Similarity	0.641	NPC470440
Remote Similarity	0.6409	NPC470497
Remote Similarity	0.6404	NPC474217
Remote Similarity	0.6402	NPC61435
Remote Similarity	0.6402	NPC321708
Remote Similarity	0.64	NPC469785
Remote Similarity	0.6398	NPC470730
Remote Similarity	0.6398	NPC477175
Remote Similarity	0.6398	NPC470729
Remote Similarity	0.6398	NPC477176
Remote Similarity	0.6395	NPC40455
Remote Similarity	0.6395	NPC476817
Remote Similarity	0.6394	NPC203754
Remote Similarity	0.6394	NPC150048
Remote Similarity	0.6393	NPC171317
Remote Similarity	0.6392	NPC190296
Remote Similarity	0.6381	NPC472105
Remote Similarity	0.6381	NPC187827
Remote Similarity	0.638	NPC469308
Remote Similarity	0.6378	NPC288838
Remote Similarity	0.6376	NPC472027
Remote Similarity	0.6372	NPC95783
Remote Similarity	0.6372	NPC5145
Remote Similarity	0.6371	NPC475969
Remote Similarity	0.6371	NPC477177
Remote Similarity	0.6371	NPC475859
Remote Similarity	0.6371	NPC474877
Remote Similarity	0.6368	NPC313884
Remote Similarity	0.6368	NPC19170
Remote Similarity	0.6368	NPC98371
Remote Similarity	0.6364	NPC53947
Remote Similarity	0.6364	NPC313421
Remote Similarity	0.6364	NPC250178
Remote Similarity	0.6351	NPC191415
Remote Similarity	0.6349	NPC478029
Remote Similarity	0.6345	NPC165743
Remote Similarity	0.6341	NPC127730
Remote Similarity	0.6341	NPC54988
Remote Similarity	0.6341	NPC278366
Remote Similarity	0.6339	NPC475288
Remote Similarity	0.6338	NPC280290
Remote Similarity	0.6338	NPC99939
Remote Similarity	0.6338	NPC308931
Remote Similarity	0.6333	NPC176199
Remote Similarity	0.6333	NPC215795
Remote Similarity	0.6333	NPC141377
Remote Similarity	0.6332	NPC250835
Remote Similarity	0.633	NPC57994
Remote Similarity	0.633	NPC289299
Remote Similarity	0.6329	NPC69843
Remote Similarity	0.6324	NPC78375
Remote Similarity	0.6324	NPC469813
Remote Similarity	0.6324	NPC476446
Remote Similarity	0.6323	NPC53144
Remote Similarity	0.6323	NPC200836
Remote Similarity	0.6322	NPC472207
Remote Similarity	0.6321	NPC104483
Remote Similarity	0.6321	NPC472104
Remote Similarity	0.6321	NPC472109
Remote Similarity	0.6321	NPC102755
Remote Similarity	0.6321	NPC472110
Remote Similarity	0.632	NPC473310
Remote Similarity	0.6318	NPC63279
Remote Similarity	0.6318	NPC220852
Remote Similarity	0.6308	NPC311858
Remote Similarity	0.6308	NPC474707
Remote Similarity	0.6305	NPC314882

Drug Structure

NPD2357 OpenBabel08211702172D 28 31 0 0 1 0 0 0 0 0999 V2000 0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 -1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 -3.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7494 -4.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1343 -5.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7275 -5.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0468 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5584 -3.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -3.8364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 -1.8364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 -0.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6449 -3.8364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1288 -6.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7663 -2.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2275 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5355 -6.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 11 24 1 0 0 0 0 12 9 1 6 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 25 28 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DNCL003404
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	11234049
ChEBI
CAS Number

Drug Properties

Molecular Weight	370.12
ALogP	0.0237
MLogP	2.23
XLogP	1.703
HDA	9
HBD	1
Rotatable Bonds	7
TPSA	106.26
RO5 Violation	0