Drug Information

Drug ID:  NPD441
Drug Name:  Flosequinan
Molecular Formula:  C11H10FNO2S
Canonical SMILES:  Fc1ccc2c(c1)n(C)cc(c2=O)S(=O)C
Standard InCHI:  InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
Standard InCHIKey:  UYGONJYYUKVHDD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD441

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.


  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
High Similarity 0.8504 NPC291962
High Similarity 0.8504 NPC177684
Intermediate Similarity 0.8438 NPC161956
Intermediate Similarity 0.8438 NPC258531
Intermediate Similarity 0.8438 NPC112373
Intermediate Similarity 0.8372 NPC257490
Intermediate Similarity 0.803 NPC39818
Intermediate Similarity 0.8015 NPC179605
Intermediate Similarity 0.8015 NPC279385
Intermediate Similarity 0.7955 NPC103292
Intermediate Similarity 0.7671 NPC470822
Intermediate Similarity 0.7559 NPC172170
Intermediate Similarity 0.7537 NPC226143
Intermediate Similarity 0.75 NPC268534
Intermediate Similarity 0.7466 NPC471164
Intermediate Similarity 0.7466 NPC471574
Intermediate Similarity 0.7376 NPC194562
Intermediate Similarity 0.7376 NPC477432
Intermediate Similarity 0.7365 NPC478040
Intermediate Similarity 0.7361 NPC300299
Intermediate Similarity 0.7348 NPC57051
Intermediate Similarity 0.7319 NPC254698
Intermediate Similarity 0.7315 NPC136002
Intermediate Similarity 0.7305 NPC209389
Intermediate Similarity 0.7254 NPC187231
Intermediate Similarity 0.7214 NPC470343
Intermediate Similarity 0.7214 NPC472244
Intermediate Similarity 0.7162 NPC207554
Intermediate Similarity 0.7078 NPC144691
Intermediate Similarity 0.7063 NPC150863
Intermediate Similarity 0.7055 NPC316104
Intermediate Similarity 0.7055 NPC162417
Intermediate Similarity 0.7034 NPC207428
Intermediate Similarity 0.7021 NPC192533
Intermediate Similarity 0.7014 NPC314431
Intermediate Similarity 0.7014 NPC472245
Intermediate Similarity 0.7014 NPC280807
Remote Similarity 0.6966 NPC316746
Remote Similarity 0.6951 NPC318183
Remote Similarity 0.6939 NPC253476
Remote Similarity 0.6892 NPC173295
Remote Similarity 0.6887 NPC2823
Remote Similarity 0.6867 NPC83214
Remote Similarity 0.6759 NPC307437
Remote Similarity 0.6759 NPC58827
Remote Similarity 0.6759 NPC72473
Remote Similarity 0.6753 NPC130797
Remote Similarity 0.6728 NPC93653
Remote Similarity 0.6667 NPC43477
Remote Similarity 0.6667 NPC117032
Remote Similarity 0.6667 NPC324445
Remote Similarity 0.6647 NPC292265
Remote Similarity 0.6626 NPC27904
Remote Similarity 0.6625 NPC295021
Remote Similarity 0.6622 NPC314098
Remote Similarity 0.6606 NPC299582
Remote Similarity 0.6601 NPC472243
Remote Similarity 0.6601 NPC315051
Remote Similarity 0.6579 NPC122553
Remote Similarity 0.6577 NPC40364
Remote Similarity 0.6568 NPC469529
Remote Similarity 0.6533 NPC130655
Remote Similarity 0.6493 NPC167336
Remote Similarity 0.6478 NPC300596
Remote Similarity 0.6478 NPC237649
Remote Similarity 0.6474 NPC308197
Remote Similarity 0.6467 NPC53044
Remote Similarity 0.6463 NPC250476
Remote Similarity 0.6456 NPC478039
Remote Similarity 0.6452 NPC301760
Remote Similarity 0.6452 NPC316202
Remote Similarity 0.6449 NPC181390
Remote Similarity 0.6446 NPC204867
Remote Similarity 0.6438 NPC226794
Remote Similarity 0.6433 NPC314186
Remote Similarity 0.6429 NPC469560
Remote Similarity 0.641 NPC472241
Remote Similarity 0.64 NPC231382
Remote Similarity 0.6391 NPC472118
Remote Similarity 0.6387 NPC130251
Remote Similarity 0.6376 NPC122235
Remote Similarity 0.6375 NPC242000
Remote Similarity 0.6369 NPC314287
Remote Similarity 0.6364 NPC154478
Remote Similarity 0.6364 NPC75496
Remote Similarity 0.6357 NPC187036
Remote Similarity 0.6351 NPC322433
Remote Similarity 0.6347 NPC113056
Remote Similarity 0.6347 NPC138293
Remote Similarity 0.6346 NPC470301
Remote Similarity 0.6341 NPC84317
Remote Similarity 0.6335 NPC13526
Remote Similarity 0.631 NPC471130
Remote Similarity 0.6308 NPC256452
Remote Similarity 0.6296 NPC38262
Remote Similarity 0.6289 NPC313850
Remote Similarity 0.6289 NPC472242
Remote Similarity 0.6287 NPC88970
Remote Similarity 0.6287 NPC242116
Remote Similarity 0.6287 NPC293458
Remote Similarity 0.6276 NPC130931
Remote Similarity 0.6272 NPC114637
Remote Similarity 0.625 NPC265100
Remote Similarity 0.6235 NPC70949
Remote Similarity 0.6231 NPC291070
Remote Similarity 0.6231 NPC246757
Remote Similarity 0.6231 NPC71140
Remote Similarity 0.6229 NPC73994
Remote Similarity 0.6229 NPC5167
Remote Similarity 0.6229 NPC85613
Remote Similarity 0.6199 NPC471943
Remote Similarity 0.6194 NPC471123
Remote Similarity 0.6185 NPC475594
Remote Similarity 0.6167 NPC255909
Remote Similarity 0.6163 NPC355
Remote Similarity 0.6159 NPC70406
Remote Similarity 0.6159 NPC55529
Remote Similarity 0.6149 NPC475607
Remote Similarity 0.6149 NPC471743
Remote Similarity 0.6149 NPC470579
Remote Similarity 0.6148 NPC291610
Remote Similarity 0.6121 NPC251391
Remote Similarity 0.6121 NPC281094
Remote Similarity 0.6118 NPC115232
Remote Similarity 0.6114 NPC474081
Remote Similarity 0.6114 NPC83774
Remote Similarity 0.6108 NPC123241
Remote Similarity 0.6099 NPC1820
Remote Similarity 0.6098 NPC313889
Remote Similarity 0.6098 NPC314223
Remote Similarity 0.6095 NPC472117
Remote Similarity 0.6092 NPC470548
Remote Similarity 0.6089 NPC316141
Remote Similarity 0.6082 NPC214960
Remote Similarity 0.6082 NPC279527
Remote Similarity 0.608 NPC475094
Remote Similarity 0.6077 NPC103119
Remote Similarity 0.6075 NPC248782
Remote Similarity 0.6074 NPC105811
Remote Similarity 0.6069 NPC313449
Remote Similarity 0.6069 NPC31651
Remote Similarity 0.6067 NPC470317
Remote Similarity 0.6062 NPC469537
Remote Similarity 0.6061 NPC285381
Remote Similarity 0.6061 NPC122106
Remote Similarity 0.6059 NPC328270
Remote Similarity 0.6054 NPC316582
Remote Similarity 0.6049 NPC467188
Remote Similarity 0.6045 NPC61011
Remote Similarity 0.6045 NPC475685
Remote Similarity 0.6045 NPC298320
Remote Similarity 0.6042 NPC288232
Remote Similarity 0.6037 NPC473329
Remote Similarity 0.6031 NPC473661
Remote Similarity 0.6027 NPC228515
Remote Similarity 0.6023 NPC284775
Remote Similarity 0.6016 NPC53492
Remote Similarity 0.6014 NPC476198
Remote Similarity 0.6014 NPC296163
Remote Similarity 0.6013 NPC179224
Remote Similarity 0.6012 NPC113946
Remote Similarity 0.6 NPC243756
Remote Similarity 0.6 NPC35510
Remote Similarity 0.6 NPC469741
Remote Similarity 0.6 NPC476231
Remote Similarity 0.6 NPC154602
Remote Similarity 0.6 NPC253667
Remote Similarity 0.6 NPC238499
Remote Similarity 0.6 NPC214106
Remote Similarity 0.6 NPC78154
Remote Similarity 0.5989 NPC475761
Remote Similarity 0.5989 NPC474041
Remote Similarity 0.5986 NPC275410
Remote Similarity 0.5979 NPC98864
Remote Similarity 0.5976 NPC80681
Remote Similarity 0.5969 NPC473239
Remote Similarity 0.5965 NPC189116
Remote Similarity 0.5964 NPC217021
Remote Similarity 0.5964 NPC470679
Remote Similarity 0.596 NPC205946
Remote Similarity 0.5959 NPC192209
Remote Similarity 0.5956 NPC326792
Remote Similarity 0.5954 NPC167724
Remote Similarity 0.5954 NPC223595
Remote Similarity 0.5954 NPC475248
Remote Similarity 0.5954 NPC224970
Remote Similarity 0.5954 NPC63047
Remote Similarity 0.5951 NPC259678
Remote Similarity 0.5944 NPC285923
Remote Similarity 0.5944 NPC46895
Remote Similarity 0.5941 NPC315368
Remote Similarity 0.5939 NPC123906
Remote Similarity 0.593 NPC42372
Remote Similarity 0.5922 NPC191415
Remote Similarity 0.592 NPC91895
Remote Similarity 0.5917 NPC61013
Remote Similarity 0.5912 NPC319645
Remote Similarity 0.5912 NPC181527
Remote Similarity 0.5912 NPC476341
Remote Similarity 0.5909 NPC293216

Drug Structure

External Identifiers

TTD   DIB001734
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  239.04
ALogP  -0.5875
MLogP  2.12
XLogP  1.148
HDA  3
HBD  0
Rotatable Bonds  4
TPSA  56.59
RO5 Violation  0