Drug Information

Drug ID:  NPD9069
Drug Name:  Dermofural
Molecular Formula:  C6H3Br2NO3
Canonical SMILES:  Br/C(=C/c1ccc(o1)Br)/N(=O)=O
Standard InCHI:  InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3-
Standard InCHIKey:  MJPPGVVIDGQOQT-HYXAFXHYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9069

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 0.7615 NPC233791
Intermediate Similarity 0.7477 NPC146316
Intermediate Similarity 0.7304 NPC217226
Intermediate Similarity 0.7217 NPC156768
Intermediate Similarity 0.7059 NPC298087
Intermediate Similarity 0.7 NPC219969
Remote Similarity 0.6917 NPC42471
Remote Similarity 0.6885 NPC209111
Remote Similarity 0.6829 NPC229387
Remote Similarity 0.6667 NPC311987
Remote Similarity 0.6614 NPC292036
Remote Similarity 0.6562 NPC11821
Remote Similarity 0.6512 NPC328451
Remote Similarity 0.6512 NPC474987
Remote Similarity 0.6512 NPC476031
Remote Similarity 0.6512 NPC76844
Remote Similarity 0.6512 NPC476014
Remote Similarity 0.6462 NPC107482
Remote Similarity 0.6434 NPC205523
Remote Similarity 0.6412 NPC291619
Remote Similarity 0.6412 NPC254958
Remote Similarity 0.6412 NPC187547
Remote Similarity 0.6412 NPC21831
Remote Similarity 0.6377 NPC196034
Remote Similarity 0.6364 NPC67345
Remote Similarity 0.6364 NPC244862
Remote Similarity 0.6364 NPC244293
Remote Similarity 0.6336 NPC217180
Remote Similarity 0.6336 NPC312525
Remote Similarity 0.632 NPC140688
Remote Similarity 0.6288 NPC206007
Remote Similarity 0.6222 NPC272487
Remote Similarity 0.6222 NPC270807
Remote Similarity 0.6222 NPC174915
Remote Similarity 0.6209 NPC320751
Remote Similarity 0.6194 NPC246214
Remote Similarity 0.6131 NPC118853
Remote Similarity 0.6129 NPC319933
Remote Similarity 0.6119 NPC137710
Remote Similarity 0.6077 NPC22678
Remote Similarity 0.6056 NPC477645
Remote Similarity 0.6043 NPC52035
Remote Similarity 0.6016 NPC471521
Remote Similarity 0.6016 NPC473356
Remote Similarity 0.6015 NPC470860
Remote Similarity 0.6 NPC225539
Remote Similarity 0.6 NPC141059
Remote Similarity 0.6 NPC4898
Remote Similarity 0.5985 NPC252004
Remote Similarity 0.5971 NPC473885
Remote Similarity 0.5971 NPC471074
Remote Similarity 0.597 NPC227660
Remote Similarity 0.597 NPC131801
Remote Similarity 0.5969 NPC177331
Remote Similarity 0.594 NPC28054
Remote Similarity 0.5929 NPC83301
Remote Similarity 0.5926 NPC32298
Remote Similarity 0.5923 NPC183648
Remote Similarity 0.5915 NPC50583
Remote Similarity 0.5912 NPC115859
Remote Similarity 0.5899 NPC11799
Remote Similarity 0.5899 NPC141252
Remote Similarity 0.5896 NPC45536
Remote Similarity 0.5896 NPC316062
Remote Similarity 0.5882 NPC473969
Remote Similarity 0.5882 NPC54243
Remote Similarity 0.5882 NPC35744
Remote Similarity 0.5878 NPC105249
Remote Similarity 0.5878 NPC471653
Remote Similarity 0.5878 NPC23332
Remote Similarity 0.5874 NPC195902
Remote Similarity 0.5833 NPC1811
Remote Similarity 0.5833 NPC26157
Remote Similarity 0.5833 NPC475092
Remote Similarity 0.5816 NPC470858
Remote Similarity 0.5809 NPC243704
Remote Similarity 0.5804 NPC59502
Remote Similarity 0.58 NPC325857
Remote Similarity 0.5793 NPC473982
Remote Similarity 0.5789 NPC279916
Remote Similarity 0.5786 NPC188377
Remote Similarity 0.5786 NPC65735
Remote Similarity 0.5778 NPC79202
Remote Similarity 0.5778 NPC59035
Remote Similarity 0.5758 NPC54626
Remote Similarity 0.5758 NPC57879
Remote Similarity 0.5755 NPC314329
Remote Similarity 0.5734 NPC280736
Remote Similarity 0.5726 NPC125306
Remote Similarity 0.5725 NPC230951
Remote Similarity 0.5724 NPC136340
Remote Similarity 0.5714 NPC106247
Remote Similarity 0.5704 NPC162294
Remote Similarity 0.5704 NPC216810
Remote Similarity 0.5683 NPC79557
Remote Similarity 0.5683 NPC1848
Remote Similarity 0.5683 NPC474136
Remote Similarity 0.5683 NPC97566
Remote Similarity 0.568 NPC175298
Remote Similarity 0.5674 NPC93730
Remote Similarity 0.5674 NPC472888
Remote Similarity 0.5672 NPC53953
Remote Similarity 0.5664 NPC184391
Remote Similarity 0.5659 NPC128730
Remote Similarity 0.5659 NPC139891
Remote Similarity 0.5655 NPC66246
Remote Similarity 0.5655 NPC939
Remote Similarity 0.5655 NPC170546
Remote Similarity 0.5649 NPC471646
Remote Similarity 0.5649 NPC471647
Remote Similarity 0.5643 NPC289911
Remote Similarity 0.5643 NPC283284
Remote Similarity 0.5643 NPC263870
Remote Similarity 0.5638 NPC204592
Remote Similarity 0.5634 NPC193805
Remote Similarity 0.563 NPC221301
Remote Similarity 0.562 NPC144745
Remote Similarity 0.562 NPC469954
Remote Similarity 0.562 NPC45104
Remote Similarity 0.562 NPC217423
Remote Similarity 0.562 NPC208906
Remote Similarity 0.5616 NPC70485
Remote Similarity 0.5616 NPC183348
Remote Similarity 0.5616 NPC282230
Remote Similarity 0.5615 NPC176971
Remote Similarity 0.5612 NPC474817
Remote Similarity 0.5606 NPC259554
Remote Similarity 0.5603 NPC69403
Remote Similarity 0.5603 NPC476351
Remote Similarity 0.5603 NPC311219
Remote Similarity 0.5603 NPC475818
Remote Similarity 0.5603 NPC291189
Remote Similarity 0.56 NPC170604
Remote Similarity 0.56 NPC163029
Remote Similarity 0.56 NPC307401
Remote Similarity 0.56 NPC215109
Remote Similarity 0.56 NPC473268

Drug Structure

External Identifiers

TTD   DIB005166
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  294.85
ALogP  2.3229
MLogP  1.46
XLogP  3.467
HDA  0
HBD  0
Rotatable Bonds  5
TPSA  56.28
RO5 Violation  0