Drug Information

Drug ID:  NPD9250
Drug Name:  Tavaborole
Molecular Formula:  C7H6BFO2
Canonical SMILES:  Fc1ccc2c(c1)COB2O
Standard InCHI:  InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
Standard InCHIKey:  LFQDNHWZDQTITF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9250

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 0.825 NPC66655
Intermediate Similarity 0.7857 NPC117180
Intermediate Similarity 0.7765 NPC87299
Intermediate Similarity 0.7765 NPC329319
Intermediate Similarity 0.7765 NPC103326
Intermediate Similarity 0.7765 NPC99394
Intermediate Similarity 0.7765 NPC106313
Intermediate Similarity 0.7738 NPC328178
Intermediate Similarity 0.7674 NPC172984
Intermediate Similarity 0.7654 NPC108218
Intermediate Similarity 0.7647 NPC165212
Intermediate Similarity 0.7586 NPC304538
Intermediate Similarity 0.75 NPC58616
Intermediate Similarity 0.7442 NPC133050
Intermediate Similarity 0.7416 NPC93843
Intermediate Similarity 0.7407 NPC208302
Intermediate Similarity 0.7363 NPC1793
Intermediate Similarity 0.7333 NPC89377
Intermediate Similarity 0.7333 NPC211237
Intermediate Similarity 0.7294 NPC224544
Intermediate Similarity 0.7273 NPC146703
Intermediate Similarity 0.7253 NPC304760
Intermediate Similarity 0.725 NPC78954
Intermediate Similarity 0.725 NPC82770
Intermediate Similarity 0.725 NPC239931
Intermediate Similarity 0.7222 NPC474211
Intermediate Similarity 0.7209 NPC170484
Intermediate Similarity 0.7204 NPC300017
Intermediate Similarity 0.7204 NPC300478
Intermediate Similarity 0.7204 NPC312304
Intermediate Similarity 0.7204 NPC79917
Intermediate Similarity 0.7204 NPC47950
Intermediate Similarity 0.7191 NPC168855
Intermediate Similarity 0.7191 NPC95429
Intermediate Similarity 0.7174 NPC220893
Intermediate Similarity 0.7174 NPC173443
Intermediate Similarity 0.7174 NPC199567
Intermediate Similarity 0.7174 NPC104216
Intermediate Similarity 0.7143 NPC189371
Intermediate Similarity 0.7128 NPC265521
Intermediate Similarity 0.7126 NPC121800
Intermediate Similarity 0.7111 NPC474354
Intermediate Similarity 0.7053 NPC325292
Intermediate Similarity 0.7053 NPC138117
Intermediate Similarity 0.7033 NPC318107
Intermediate Similarity 0.7033 NPC286904
Intermediate Similarity 0.7021 NPC119631
Remote Similarity 0.6966 NPC475199
Remote Similarity 0.6966 NPC103387
Remote Similarity 0.6966 NPC323103
Remote Similarity 0.6966 NPC283012
Remote Similarity 0.6957 NPC155393
Remote Similarity 0.6957 NPC198747
Remote Similarity 0.6947 NPC128645
Remote Similarity 0.6932 NPC309279
Remote Similarity 0.6923 NPC99482
Remote Similarity 0.6923 NPC265146
Remote Similarity 0.6923 NPC124436
Remote Similarity 0.6915 NPC62765
Remote Similarity 0.6907 NPC21959
Remote Similarity 0.6907 NPC313650
Remote Similarity 0.69 NPC154905
Remote Similarity 0.69 NPC60373
Remote Similarity 0.6889 NPC270507
Remote Similarity 0.6882 NPC23167
Remote Similarity 0.6882 NPC307235
Remote Similarity 0.6882 NPC407
Remote Similarity 0.6848 NPC248817
Remote Similarity 0.6848 NPC150837
Remote Similarity 0.6848 NPC175313
Remote Similarity 0.6837 NPC283711
Remote Similarity 0.6818 NPC469894
Remote Similarity 0.6809 NPC113460
Remote Similarity 0.6809 NPC27974
Remote Similarity 0.6809 NPC25493
Remote Similarity 0.6804 NPC20142
Remote Similarity 0.6804 NPC215351
Remote Similarity 0.68 NPC289117
Remote Similarity 0.6778 NPC73637
Remote Similarity 0.6778 NPC121478
Remote Similarity 0.6774 NPC197783
Remote Similarity 0.6771 NPC45040
Remote Similarity 0.6771 NPC314690
Remote Similarity 0.6768 NPC210529
Remote Similarity 0.6768 NPC88420
Remote Similarity 0.6768 NPC160548
Remote Similarity 0.6768 NPC95755
Remote Similarity 0.6768 NPC474073
Remote Similarity 0.6768 NPC175852
Remote Similarity 0.6765 NPC148060
Remote Similarity 0.6742 NPC184030
Remote Similarity 0.6742 NPC164449
Remote Similarity 0.6742 NPC192623
Remote Similarity 0.6739 NPC294134
Remote Similarity 0.6737 NPC240108
Remote Similarity 0.6737 NPC280347
Remote Similarity 0.6737 NPC177420
Remote Similarity 0.6737 NPC242240
Remote Similarity 0.6737 NPC123273
Remote Similarity 0.6737 NPC213156
Remote Similarity 0.6737 NPC258219
Remote Similarity 0.6737 NPC318325
Remote Similarity 0.6735 NPC286006
Remote Similarity 0.6703 NPC288903
Remote Similarity 0.6703 NPC285773
Remote Similarity 0.6702 NPC184169
Remote Similarity 0.6701 NPC29373
Remote Similarity 0.67 NPC216468
Remote Similarity 0.67 NPC100870
Remote Similarity 0.67 NPC128723
Remote Similarity 0.67 NPC51333
Remote Similarity 0.67 NPC132078
Remote Similarity 0.67 NPC78119
Remote Similarity 0.6667 NPC325499
Remote Similarity 0.6667 NPC82426
Remote Similarity 0.6667 NPC249912
Remote Similarity 0.6667 NPC89886
Remote Similarity 0.6667 NPC91820
Remote Similarity 0.6667 NPC192
Remote Similarity 0.6667 NPC234305
Remote Similarity 0.6667 NPC175393
Remote Similarity 0.6667 NPC276775
Remote Similarity 0.6667 NPC55561
Remote Similarity 0.6667 NPC92754
Remote Similarity 0.6634 NPC130103
Remote Similarity 0.6634 NPC469481
Remote Similarity 0.6634 NPC294741
Remote Similarity 0.6634 NPC213730
Remote Similarity 0.6634 NPC174911
Remote Similarity 0.6633 NPC128062
Remote Similarity 0.6633 NPC5472
Remote Similarity 0.6633 NPC151715
Remote Similarity 0.6633 NPC130398
Remote Similarity 0.6602 NPC315794
Remote Similarity 0.66 NPC78701
Remote Similarity 0.66 NPC475954
Remote Similarity 0.66 NPC226096
Remote Similarity 0.66 NPC225060
Remote Similarity 0.66 NPC290515
Remote Similarity 0.66 NPC164514
Remote Similarity 0.66 NPC303611
Remote Similarity 0.66 NPC35448
Remote Similarity 0.66 NPC108606
Remote Similarity 0.6598 NPC306074
Remote Similarity 0.6598 NPC304541
Remote Similarity 0.6598 NPC270547
Remote Similarity 0.6598 NPC231150
Remote Similarity 0.6598 NPC321956
Remote Similarity 0.6598 NPC204210
Remote Similarity 0.6588 NPC155429
Remote Similarity 0.6571 NPC277788
Remote Similarity 0.6569 NPC91461
Remote Similarity 0.6569 NPC7686
Remote Similarity 0.6569 NPC40258
Remote Similarity 0.6569 NPC110764
Remote Similarity 0.6566 NPC3371
Remote Similarity 0.6566 NPC246679
Remote Similarity 0.6566 NPC61944
Remote Similarity 0.6566 NPC26244
Remote Similarity 0.6566 NPC274678
Remote Similarity 0.6562 NPC99886
Remote Similarity 0.6562 NPC8002
Remote Similarity 0.6562 NPC70436
Remote Similarity 0.6562 NPC177844
Remote Similarity 0.6562 NPC98772
Remote Similarity 0.6562 NPC185501
Remote Similarity 0.6562 NPC259134
Remote Similarity 0.6556 NPC127343
Remote Similarity 0.6552 NPC32203
Remote Similarity 0.6552 NPC206800
Remote Similarity 0.6548 NPC169222
Remote Similarity 0.6548 NPC16190
Remote Similarity 0.6548 NPC235059
Remote Similarity 0.6538 NPC471133
Remote Similarity 0.6535 NPC131587
Remote Similarity 0.6535 NPC98911
Remote Similarity 0.6535 NPC472318
Remote Similarity 0.6535 NPC146351
Remote Similarity 0.6535 NPC118343
Remote Similarity 0.6535 NPC171843
Remote Similarity 0.6531 NPC3358
Remote Similarity 0.6531 NPC271440
Remote Similarity 0.6531 NPC94139
Remote Similarity 0.6531 NPC55903
Remote Similarity 0.6531 NPC181709
Remote Similarity 0.6531 NPC261181
Remote Similarity 0.6531 NPC147284
Remote Similarity 0.6531 NPC306884
Remote Similarity 0.6531 NPC162314
Remote Similarity 0.6531 NPC210497
Remote Similarity 0.6517 NPC176228
Remote Similarity 0.6509 NPC469511
Remote Similarity 0.6505 NPC305205
Remote Similarity 0.6505 NPC160382
Remote Similarity 0.6505 NPC235762
Remote Similarity 0.6505 NPC19856
Remote Similarity 0.6505 NPC471228
Remote Similarity 0.65 NPC253423
Remote Similarity 0.65 NPC33168
Remote Similarity 0.65 NPC270654

Drug Structure

External Identifiers

TTD   DIB003811
DrugBank   DB09041
ChEMBL   CHEMBL443052
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D10169
PubChem CID  
ChEBI   77942
CAS Number  174671-46-6

Drug Properties

Molecular Weight  152.04
ALogP  -0.1231
MLogP  1.79
XLogP  1.403
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  29.46
RO5 Violation  0