Drug Information

Drug ID:  NPD9244
Drug Name:  Tribromometacresol
Molecular Formula:  C7H5Br3O
Canonical SMILES:  Cc1c(Br)cc(c(c1Br)O)Br
Standard InCHI:  InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
Standard InCHIKey:  QKHROXOPRBWBDD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9244

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 0.8061 NPC252149
Intermediate Similarity 0.7965 NPC50782
Intermediate Similarity 0.7946 NPC76400
Intermediate Similarity 0.7788 NPC471488
Intermediate Similarity 0.7788 NPC33244
Intermediate Similarity 0.7748 NPC54543
Intermediate Similarity 0.7719 NPC94217
Intermediate Similarity 0.7679 NPC473358
Intermediate Similarity 0.7677 NPC319826
Intermediate Similarity 0.76 NPC150837
Intermediate Similarity 0.7583 NPC47790
Intermediate Similarity 0.7561 NPC13004
Intermediate Similarity 0.7541 NPC142776
Intermediate Similarity 0.75 NPC471495
Intermediate Similarity 0.7479 NPC474146
Intermediate Similarity 0.7459 NPC137117
Intermediate Similarity 0.7417 NPC227976
Intermediate Similarity 0.7414 NPC115803
Intermediate Similarity 0.7398 NPC220311
Intermediate Similarity 0.7379 NPC19680
Intermediate Similarity 0.7379 NPC27974
Intermediate Similarity 0.7368 NPC471487
Intermediate Similarity 0.7302 NPC474536
Intermediate Similarity 0.7302 NPC85049
Intermediate Similarity 0.7295 NPC219444
Intermediate Similarity 0.7288 NPC79844
Intermediate Similarity 0.7281 NPC473372
Intermediate Similarity 0.7273 NPC471486
Intermediate Similarity 0.725 NPC38483
Intermediate Similarity 0.725 NPC117759
Intermediate Similarity 0.7244 NPC226493
Intermediate Similarity 0.7244 NPC160081
Intermediate Similarity 0.7236 NPC84606
Intermediate Similarity 0.7222 NPC150929
Intermediate Similarity 0.72 NPC43706
Intermediate Similarity 0.72 NPC134219
Intermediate Similarity 0.719 NPC180207
Intermediate Similarity 0.717 NPC231150
Intermediate Similarity 0.7165 NPC135173
Intermediate Similarity 0.7157 NPC124436
Intermediate Similarity 0.7143 NPC473708
Intermediate Similarity 0.7143 NPC474147
Intermediate Similarity 0.7107 NPC100395
Intermediate Similarity 0.7103 NPC162314
Intermediate Similarity 0.7103 NPC306884
Intermediate Similarity 0.7103 NPC29373
Intermediate Similarity 0.7103 NPC55903
Intermediate Similarity 0.7103 NPC94139
Intermediate Similarity 0.7103 NPC147284
Intermediate Similarity 0.7103 NPC210497
Intermediate Similarity 0.7103 NPC295295
Intermediate Similarity 0.7103 NPC3358
Intermediate Similarity 0.7099 NPC470248
Intermediate Similarity 0.7087 NPC286904
Intermediate Similarity 0.7087 NPC55113
Intermediate Similarity 0.7087 NPC248817
Intermediate Similarity 0.7075 NPC192
Intermediate Similarity 0.7075 NPC312304
Intermediate Similarity 0.7037 NPC245187
Intermediate Similarity 0.7034 NPC59387
Intermediate Similarity 0.7019 NPC197783
Intermediate Similarity 0.7016 NPC229213
Remote Similarity 0.6992 NPC271942
Remote Similarity 0.699 NPC265146
Remote Similarity 0.6972 NPC107522
Remote Similarity 0.6972 NPC222146
Remote Similarity 0.696 NPC473572
Remote Similarity 0.696 NPC474169
Remote Similarity 0.6952 NPC23167
Remote Similarity 0.6952 NPC407
Remote Similarity 0.6952 NPC184169
Remote Similarity 0.6952 NPC307235
Remote Similarity 0.6947 NPC163560
Remote Similarity 0.6947 NPC244890
Remote Similarity 0.6935 NPC136543
Remote Similarity 0.6923 NPC175313
Remote Similarity 0.6909 NPC259512
Remote Similarity 0.6909 NPC312132
Remote Similarity 0.6899 NPC105702
Remote Similarity 0.6899 NPC474614
Remote Similarity 0.6894 NPC245386
Remote Similarity 0.6894 NPC235633
Remote Similarity 0.6894 NPC312155
Remote Similarity 0.6887 NPC25493
Remote Similarity 0.6887 NPC113460
Remote Similarity 0.6881 NPC76938
Remote Similarity 0.6857 NPC155393
Remote Similarity 0.6852 NPC155908
Remote Similarity 0.6852 NPC304541
Remote Similarity 0.6847 NPC474073
Remote Similarity 0.6847 NPC152097
Remote Similarity 0.6847 NPC79241
Remote Similarity 0.6847 NPC6597
Remote Similarity 0.6847 NPC475078
Remote Similarity 0.6842 NPC199089
Remote Similarity 0.6842 NPC470249
Remote Similarity 0.6825 NPC105999
Remote Similarity 0.6822 NPC242240
Remote Similarity 0.6822 NPC280347
Remote Similarity 0.6822 NPC98772
Remote Similarity 0.6822 NPC177420
Remote Similarity 0.6822 NPC123273
Remote Similarity 0.6822 NPC318325
Remote Similarity 0.6822 NPC258219
Remote Similarity 0.6822 NPC70436
Remote Similarity 0.6818 NPC274678
Remote Similarity 0.6818 NPC32714
Remote Similarity 0.6818 NPC257182
Remote Similarity 0.6815 NPC160932
Remote Similarity 0.6812 NPC109346
Remote Similarity 0.6794 NPC158078
Remote Similarity 0.6794 NPC259017
Remote Similarity 0.6791 NPC224663
Remote Similarity 0.6786 NPC33675
Remote Similarity 0.6786 NPC260775
Remote Similarity 0.6786 NPC299762
Remote Similarity 0.6772 NPC213414
Remote Similarity 0.6759 NPC55561
Remote Similarity 0.6757 NPC202986
Remote Similarity 0.6746 NPC116562
Remote Similarity 0.6742 NPC300678
Remote Similarity 0.6742 NPC303011
Remote Similarity 0.6742 NPC474135
Remote Similarity 0.6741 NPC470250
Remote Similarity 0.6729 NPC104216
Remote Similarity 0.6727 NPC475466
Remote Similarity 0.6727 NPC316301
Remote Similarity 0.6727 NPC152415
Remote Similarity 0.6727 NPC27323
Remote Similarity 0.6726 NPC12931
Remote Similarity 0.6726 NPC72729
Remote Similarity 0.6726 NPC174911
Remote Similarity 0.6726 NPC70677
Remote Similarity 0.6726 NPC130756
Remote Similarity 0.6726 NPC166761
Remote Similarity 0.6726 NPC48730
Remote Similarity 0.6726 NPC211885
Remote Similarity 0.6726 NPC248396
Remote Similarity 0.6726 NPC129373
Remote Similarity 0.6715 NPC474851
Remote Similarity 0.6715 NPC89341
Remote Similarity 0.6715 NPC474850
Remote Similarity 0.6697 NPC306074
Remote Similarity 0.6697 NPC270547
Remote Similarity 0.6697 NPC204210
Remote Similarity 0.6696 NPC88420
Remote Similarity 0.6696 NPC32674
Remote Similarity 0.6696 NPC291789
Remote Similarity 0.6696 NPC109955
Remote Similarity 0.6696 NPC156313
Remote Similarity 0.6692 NPC471328
Remote Similarity 0.6667 NPC477685
Remote Similarity 0.6667 NPC147310
Remote Similarity 0.6667 NPC252105
Remote Similarity 0.6667 NPC110800
Remote Similarity 0.6667 NPC137415
Remote Similarity 0.6667 NPC294186
Remote Similarity 0.6667 NPC192032
Remote Similarity 0.6667 NPC24407
Remote Similarity 0.6667 NPC166313
Remote Similarity 0.6667 NPC11280
Remote Similarity 0.6667 NPC43613
Remote Similarity 0.6667 NPC80800
Remote Similarity 0.6667 NPC94343
Remote Similarity 0.6641 NPC99280
Remote Similarity 0.6637 NPC131587
Remote Similarity 0.6636 NPC181709
Remote Similarity 0.6636 NPC138117
Remote Similarity 0.6636 NPC325292
Remote Similarity 0.6618 NPC168680
Remote Similarity 0.6614 NPC296202
Remote Similarity 0.6609 NPC471228
Remote Similarity 0.6609 NPC222522
Remote Similarity 0.6609 NPC196479
Remote Similarity 0.6609 NPC168303
Remote Similarity 0.6609 NPC242342
Remote Similarity 0.6609 NPC235762
Remote Similarity 0.6609 NPC53051
Remote Similarity 0.6609 NPC302219
Remote Similarity 0.6609 NPC249828
Remote Similarity 0.6609 NPC146798
Remote Similarity 0.6609 NPC319933
Remote Similarity 0.6609 NPC85479
Remote Similarity 0.6609 NPC269212
Remote Similarity 0.6609 NPC108497
Remote Similarity 0.6609 NPC106396
Remote Similarity 0.6609 NPC94351
Remote Similarity 0.6609 NPC71002
Remote Similarity 0.6609 NPC24404
Remote Similarity 0.6609 NPC313030
Remote Similarity 0.6606 NPC151764
Remote Similarity 0.6606 NPC300478
Remote Similarity 0.6606 NPC47950
Remote Similarity 0.6606 NPC300017
Remote Similarity 0.6594 NPC118794
Remote Similarity 0.6594 NPC470247
Remote Similarity 0.6591 NPC11449
Remote Similarity 0.6579 NPC223393
Remote Similarity 0.6579 NPC294741
Remote Similarity 0.6579 NPC161571

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  341.79
ALogP  2.8481
MLogP  1.79
XLogP  3.247
HDA  0
HBD  1
Rotatable Bonds  5
TPSA  20.23
RO5 Violation  0