Drug Information

Drug ID:  NPD3373
Drug Name:  Benfluorex
Molecular Formula:  C19H20F3NO2
Canonical SMILES:  CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1
Standard InCHI:  InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
Standard InCHIKey:  CJAVTWRYCDNHSM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3373

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
Intermediate Similarity 0.7836 NPC26285
Intermediate Similarity 0.7519 NPC24777
Intermediate Similarity 0.7517 NPC319645
Intermediate Similarity 0.7448 NPC281104
Intermediate Similarity 0.744 NPC42211
Intermediate Similarity 0.736 NPC118343
Intermediate Similarity 0.7344 NPC269457
Intermediate Similarity 0.7338 NPC285394
Intermediate Similarity 0.728 NPC78701
Intermediate Similarity 0.728 NPC35448
Intermediate Similarity 0.7273 NPC79496
Intermediate Similarity 0.7222 NPC146351
Intermediate Similarity 0.7218 NPC128368
Intermediate Similarity 0.72 NPC92754
Intermediate Similarity 0.72 NPC249912
Intermediate Similarity 0.72 NPC276775
Intermediate Similarity 0.7197 NPC210089
Intermediate Similarity 0.7188 NPC474365
Intermediate Similarity 0.7188 NPC301943
Intermediate Similarity 0.7176 NPC469636
Intermediate Similarity 0.7143 NPC225060
Intermediate Similarity 0.7087 NPC325497
Intermediate Similarity 0.7077 NPC67043
Intermediate Similarity 0.7075 NPC173295
Intermediate Similarity 0.7068 NPC167504
Intermediate Similarity 0.7045 NPC17417
Intermediate Similarity 0.7045 NPC10251
Intermediate Similarity 0.7042 NPC4974
Intermediate Similarity 0.704 NPC130398
Intermediate Similarity 0.7031 NPC70624
Intermediate Similarity 0.7031 NPC316797
Intermediate Similarity 0.7015 NPC270699
Intermediate Similarity 0.7015 NPC82899
Remote Similarity 0.6992 NPC196246
Remote Similarity 0.6992 NPC251854
Remote Similarity 0.6992 NPC93084
Remote Similarity 0.6992 NPC158854
Remote Similarity 0.6992 NPC214067
Remote Similarity 0.697 NPC56493
Remote Similarity 0.6948 NPC17760
Remote Similarity 0.694 NPC305912
Remote Similarity 0.694 NPC1082
Remote Similarity 0.694 NPC474157
Remote Similarity 0.6929 NPC270654
Remote Similarity 0.6923 NPC214239
Remote Similarity 0.6917 NPC83628
Remote Similarity 0.6917 NPC265407
Remote Similarity 0.6914 NPC158900
Remote Similarity 0.6912 NPC307651
Remote Similarity 0.6897 NPC122235
Remote Similarity 0.6894 NPC119271
Remote Similarity 0.6892 NPC266425
Remote Similarity 0.6889 NPC269340
Remote Similarity 0.6889 NPC158282
Remote Similarity 0.6875 NPC65310
Remote Similarity 0.6875 NPC322598
Remote Similarity 0.6871 NPC44805
Remote Similarity 0.6871 NPC8761
Remote Similarity 0.6866 NPC174099
Remote Similarity 0.6861 NPC306740
Remote Similarity 0.6861 NPC210092
Remote Similarity 0.6853 NPC226794
Remote Similarity 0.6853 NPC328267
Remote Similarity 0.6846 NPC188895
Remote Similarity 0.6835 NPC228318
Remote Similarity 0.6831 NPC160493
Remote Similarity 0.6828 NPC199738
Remote Similarity 0.6828 NPC210950
Remote Similarity 0.6822 NPC203925
Remote Similarity 0.6818 NPC476198
Remote Similarity 0.6818 NPC209632
Remote Similarity 0.6818 NPC167336
Remote Similarity 0.6815 NPC319579
Remote Similarity 0.6815 NPC476003
Remote Similarity 0.6809 NPC473243
Remote Similarity 0.6806 NPC295664
Remote Similarity 0.6803 NPC157311
Remote Similarity 0.68 NPC119631
Remote Similarity 0.6797 NPC204546
Remote Similarity 0.6794 NPC60679
Remote Similarity 0.6794 NPC89886
Remote Similarity 0.6791 NPC474364
Remote Similarity 0.6788 NPC153053
Remote Similarity 0.6781 NPC311753
Remote Similarity 0.6765 NPC321852
Remote Similarity 0.6761 NPC50872
Remote Similarity 0.6759 NPC124776
Remote Similarity 0.6759 NPC136453
Remote Similarity 0.6742 NPC31786
Remote Similarity 0.6742 NPC304761
Remote Similarity 0.6742 NPC226778
Remote Similarity 0.6742 NPC147000
Remote Similarity 0.6742 NPC150254
Remote Similarity 0.6742 NPC114594
Remote Similarity 0.6739 NPC474095
Remote Similarity 0.6736 NPC471466
Remote Similarity 0.6733 NPC470441
Remote Similarity 0.672 NPC240108
Remote Similarity 0.672 NPC213156
Remote Similarity 0.6715 NPC272524
Remote Similarity 0.6714 NPC469574
Remote Similarity 0.6713 NPC213126
Remote Similarity 0.6713 NPC317474
Remote Similarity 0.6713 NPC291027
Remote Similarity 0.6713 NPC169485
Remote Similarity 0.6713 NPC84281
Remote Similarity 0.6712 NPC152850
Remote Similarity 0.6712 NPC89923
Remote Similarity 0.6712 NPC71933
Remote Similarity 0.6712 NPC239990
Remote Similarity 0.6712 NPC105114
Remote Similarity 0.6708 NPC63370
Remote Similarity 0.6708 NPC36836
Remote Similarity 0.6693 NPC261181
Remote Similarity 0.6691 NPC260818
Remote Similarity 0.669 NPC190663
Remote Similarity 0.669 NPC474847
Remote Similarity 0.6667 NPC308744
Remote Similarity 0.6667 NPC293628
Remote Similarity 0.6667 NPC474473
Remote Similarity 0.6667 NPC99846
Remote Similarity 0.6667 NPC269023
Remote Similarity 0.6667 NPC122493
Remote Similarity 0.6667 NPC10781
Remote Similarity 0.6667 NPC314223
Remote Similarity 0.6646 NPC476750
Remote Similarity 0.6645 NPC77992
Remote Similarity 0.6644 NPC477937
Remote Similarity 0.6644 NPC470765
Remote Similarity 0.6644 NPC275576
Remote Similarity 0.6643 NPC144547
Remote Similarity 0.6642 NPC37622
Remote Similarity 0.6642 NPC30594
Remote Similarity 0.6642 NPC66208
Remote Similarity 0.664 NPC9822
Remote Similarity 0.664 NPC173443
Remote Similarity 0.6623 NPC43477
Remote Similarity 0.6622 NPC325651
Remote Similarity 0.6622 NPC69496
Remote Similarity 0.6619 NPC228936
Remote Similarity 0.6619 NPC474685
Remote Similarity 0.6618 NPC273837
Remote Similarity 0.6606 NPC189116
Remote Similarity 0.6601 NPC471316
Remote Similarity 0.66 NPC233910
Remote Similarity 0.66 NPC245836
Remote Similarity 0.66 NPC470392
Remote Similarity 0.6599 NPC169913
Remote Similarity 0.6599 NPC473220
Remote Similarity 0.6599 NPC470753
Remote Similarity 0.6599 NPC305717
Remote Similarity 0.6599 NPC476353
Remote Similarity 0.6596 NPC45104
Remote Similarity 0.6594 NPC161611
Remote Similarity 0.6591 NPC45613
Remote Similarity 0.6591 NPC327226
Remote Similarity 0.6579 NPC478140
Remote Similarity 0.6573 NPC232958
Remote Similarity 0.6573 NPC988
Remote Similarity 0.6573 NPC80150
Remote Similarity 0.6573 NPC289432
Remote Similarity 0.6571 NPC149691
Remote Similarity 0.6571 NPC197470
Remote Similarity 0.6567 NPC105899
Remote Similarity 0.6562 NPC291070
Remote Similarity 0.6562 NPC246757
Remote Similarity 0.6561 NPC135121
Remote Similarity 0.6556 NPC253476
Remote Similarity 0.6552 NPC35996
Remote Similarity 0.6552 NPC223351
Remote Similarity 0.6548 NPC476749
Remote Similarity 0.6548 NPC474858
Remote Similarity 0.6547 NPC474363
Remote Similarity 0.6544 NPC85493
Remote Similarity 0.6544 NPC318327
Remote Similarity 0.6541 NPC255676
Remote Similarity 0.6541 NPC329556
Remote Similarity 0.6538 NPC324569
Remote Similarity 0.6531 NPC476599
Remote Similarity 0.6528 NPC316896
Remote Similarity 0.6525 NPC106551
Remote Similarity 0.6525 NPC188867
Remote Similarity 0.6525 NPC281686
Remote Similarity 0.6516 NPC57976
Remote Similarity 0.6513 NPC474787
Remote Similarity 0.6513 NPC9687
Remote Similarity 0.6513 NPC49577
Remote Similarity 0.6513 NPC273907
Remote Similarity 0.6513 NPC151706
Remote Similarity 0.6513 NPC474855
Remote Similarity 0.6513 NPC474811
Remote Similarity 0.6513 NPC118099
Remote Similarity 0.6513 NPC260045
Remote Similarity 0.6513 NPC475598
Remote Similarity 0.6513 NPC76785
Remote Similarity 0.6513 NPC90194
Remote Similarity 0.6513 NPC293377
Remote Similarity 0.6513 NPC476102
Remote Similarity 0.6513 NPC475318
Remote Similarity 0.6513 NPC79465

Drug Structure

External Identifiers

TTD   DIB004561
DrugBank   DB09022
ChEMBL   CHEMBL400599
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07192
PubChem CID  
ChEBI   93826
CAS Number  23602-78-0

Drug Properties

Molecular Weight  351.14
ALogP  0.6731
MLogP  2.89
XLogP  7.23
HDA  3
HBD  1
Rotatable Bonds  13
TPSA  38.33
RO5 Violation  1