Drug Information

Drug ID:  NPD1809
Drug Name:  Butylated Hydroxytoluene
Molecular Formula:  C15H24O
Canonical SMILES:  Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Standard InCHI:  InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
Standard InCHIKey:  NLZUEZXRPGMBCV-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1809

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 1.0 NPC144682
High Similarity 0.9674 NPC122005
High Similarity 0.9674 NPC252821
High Similarity 0.9667 NPC289769
High Similarity 0.957 NPC225506
High Similarity 0.9438 NPC70436
High Similarity 0.9355 NPC77492
High Similarity 0.9348 NPC8392
High Similarity 0.9239 NPC152415
High Similarity 0.9239 NPC316301
High Similarity 0.9239 NPC27323
High Similarity 0.9231 NPC306074
High Similarity 0.9231 NPC204210
High Similarity 0.9175 NPC219286
High Similarity 0.9175 NPC99557
High Similarity 0.9158 NPC211885
High Similarity 0.914 NPC222146
High Similarity 0.9053 NPC128723
High Similarity 0.9022 NPC155908
High Similarity 0.9011 NPC123273
High Similarity 0.9011 NPC318325
High Similarity 0.9011 NPC242240
High Similarity 0.8969 NPC269212
High Similarity 0.8947 NPC225464
High Similarity 0.8901 NPC25493
High Similarity 0.8901 NPC113460
High Similarity 0.89 NPC470039
High Similarity 0.8854 NPC33675
High Similarity 0.8854 NPC299762
High Similarity 0.8854 NPC92730
High Similarity 0.8817 NPC304541
High Similarity 0.8804 NPC280347
High Similarity 0.8804 NPC258219
High Similarity 0.8804 NPC98772
High Similarity 0.8804 NPC177420
High Similarity 0.8791 NPC184169
High Similarity 0.8791 NPC307235
High Similarity 0.8791 NPC23167
High Similarity 0.8791 NPC407
High Similarity 0.8788 NPC138942
High Similarity 0.8776 NPC168829
High Similarity 0.8725 NPC13482
High Similarity 0.8723 NPC55903
High Similarity 0.871 NPC55561
High Similarity 0.87 NPC21594
High Similarity 0.87 NPC271274
High Similarity 0.8687 NPC288411
High Similarity 0.8681 NPC197783
High Similarity 0.8681 NPC155393
High Similarity 0.8673 NPC252105
High Similarity 0.8673 NPC51015
High Similarity 0.8641 NPC176279
High Similarity 0.8641 NPC260323
High Similarity 0.8632 NPC128062
High Similarity 0.8617 NPC270547
High Similarity 0.8614 NPC228737
High Similarity 0.8614 NPC151477
High Similarity 0.86 NPC243677
High Similarity 0.86 NPC303141
High Similarity 0.8571 NPC248817
High Similarity 0.8571 NPC286904
High Similarity 0.8571 NPC175313
High Similarity 0.8558 NPC250323
High Similarity 0.8558 NPC228425
High Similarity 0.8557 NPC79241
High Similarity 0.8557 NPC6597
High Similarity 0.8544 NPC141782
High Similarity 0.8542 NPC26244
High Similarity 0.8526 NPC271440
Intermediate Similarity 0.8495 NPC19680
Intermediate Similarity 0.8462 NPC124436
Intermediate Similarity 0.8462 NPC265146
Intermediate Similarity 0.8454 NPC473388
Intermediate Similarity 0.8454 NPC312132
Intermediate Similarity 0.8454 NPC259512
Intermediate Similarity 0.8447 NPC58865
Intermediate Similarity 0.8438 NPC245187
Intermediate Similarity 0.8438 NPC151715
Intermediate Similarity 0.8421 NPC45040
Intermediate Similarity 0.8416 NPC47284
Intermediate Similarity 0.8416 NPC117115
Intermediate Similarity 0.84 NPC470202
Intermediate Similarity 0.84 NPC108497
Intermediate Similarity 0.8396 NPC195922
Intermediate Similarity 0.8384 NPC72729
Intermediate Similarity 0.8365 NPC296683
Intermediate Similarity 0.835 NPC63698
Intermediate Similarity 0.835 NPC61885
Intermediate Similarity 0.835 NPC262365
Intermediate Similarity 0.8333 NPC306884
Intermediate Similarity 0.8333 NPC310456
Intermediate Similarity 0.8333 NPC138117
Intermediate Similarity 0.8333 NPC94139
Intermediate Similarity 0.8333 NPC53740
Intermediate Similarity 0.8333 NPC325292
Intermediate Similarity 0.8333 NPC147284
Intermediate Similarity 0.8333 NPC477814
Intermediate Similarity 0.8333 NPC54765
Intermediate Similarity 0.8333 NPC162314
Intermediate Similarity 0.8333 NPC3358
Intermediate Similarity 0.8333 NPC210497
Intermediate Similarity 0.8318 NPC192948
Intermediate Similarity 0.8318 NPC35797
Intermediate Similarity 0.8317 NPC238696
Intermediate Similarity 0.8317 NPC272029
Intermediate Similarity 0.8317 NPC120719
Intermediate Similarity 0.8316 NPC300017
Intermediate Similarity 0.8316 NPC192
Intermediate Similarity 0.8298 NPC27974
Intermediate Similarity 0.8286 NPC151537
Intermediate Similarity 0.8286 NPC95716
Intermediate Similarity 0.8283 NPC80027
Intermediate Similarity 0.8269 NPC471954
Intermediate Similarity 0.8269 NPC75272
Intermediate Similarity 0.8265 NPC132271
Intermediate Similarity 0.8265 NPC292730
Intermediate Similarity 0.8265 NPC216520
Intermediate Similarity 0.8265 NPC82664
Intermediate Similarity 0.8252 NPC320439
Intermediate Similarity 0.8241 NPC477137
Intermediate Similarity 0.8241 NPC38893
Intermediate Similarity 0.8241 NPC308311
Intermediate Similarity 0.8241 NPC471668
Intermediate Similarity 0.8229 NPC231150
Intermediate Similarity 0.8224 NPC268160
Intermediate Similarity 0.8208 NPC471179
Intermediate Similarity 0.8208 NPC46940
Intermediate Similarity 0.8208 NPC98372
Intermediate Similarity 0.82 NPC248396
Intermediate Similarity 0.82 NPC48730
Intermediate Similarity 0.82 NPC129373
Intermediate Similarity 0.819 NPC44732
Intermediate Similarity 0.819 NPC224870
Intermediate Similarity 0.8182 NPC152097
Intermediate Similarity 0.8173 NPC64586
Intermediate Similarity 0.8173 NPC95344
Intermediate Similarity 0.8173 NPC306295
Intermediate Similarity 0.8165 NPC172219
Intermediate Similarity 0.8165 NPC304510
Intermediate Similarity 0.8165 NPC174087
Intermediate Similarity 0.8165 NPC477136
Intermediate Similarity 0.8163 NPC313650
Intermediate Similarity 0.8163 NPC274678
Intermediate Similarity 0.8155 NPC155072
Intermediate Similarity 0.8155 NPC469913
Intermediate Similarity 0.8148 NPC147179
Intermediate Similarity 0.8137 NPC475225
Intermediate Similarity 0.8137 NPC119860
Intermediate Similarity 0.8131 NPC263753
Intermediate Similarity 0.8131 NPC35344
Intermediate Similarity 0.8131 NPC141003
Intermediate Similarity 0.8131 NPC715
Intermediate Similarity 0.8119 NPC472585
Intermediate Similarity 0.8119 NPC477685
Intermediate Similarity 0.8119 NPC471578
Intermediate Similarity 0.8119 NPC101025
Intermediate Similarity 0.8113 NPC308689
Intermediate Similarity 0.8113 NPC4493
Intermediate Similarity 0.8113 NPC77772
Intermediate Similarity 0.8113 NPC266937
Intermediate Similarity 0.8113 NPC476632
Intermediate Similarity 0.8113 NPC165770
Intermediate Similarity 0.8113 NPC470770
Intermediate Similarity 0.8113 NPC225679
Intermediate Similarity 0.8113 NPC322753
Intermediate Similarity 0.8105 NPC104216
Intermediate Similarity 0.81 NPC51333
Intermediate Similarity 0.81 NPC216468
Intermediate Similarity 0.81 NPC132078
Intermediate Similarity 0.81 NPC78119
Intermediate Similarity 0.81 NPC260775
Intermediate Similarity 0.8095 NPC314187
Intermediate Similarity 0.8091 NPC154030
Intermediate Similarity 0.8091 NPC471671
Intermediate Similarity 0.8081 NPC202986
Intermediate Similarity 0.8073 NPC469663
Intermediate Similarity 0.8073 NPC92
Intermediate Similarity 0.8073 NPC219112
Intermediate Similarity 0.8073 NPC308828
Intermediate Similarity 0.8061 NPC76938
Intermediate Similarity 0.8058 NPC474839
Intermediate Similarity 0.8056 NPC12656
Intermediate Similarity 0.8056 NPC107240
Intermediate Similarity 0.8039 NPC471228
Intermediate Similarity 0.8039 NPC235762
Intermediate Similarity 0.8039 NPC62351
Intermediate Similarity 0.8037 NPC62867
Intermediate Similarity 0.8037 NPC286222
Intermediate Similarity 0.8037 NPC177962
Intermediate Similarity 0.8037 NPC228988
Intermediate Similarity 0.8037 NPC43525
Intermediate Similarity 0.8022 NPC133050
Intermediate Similarity 0.802 NPC174911
Intermediate Similarity 0.802 NPC213730
Intermediate Similarity 0.802 NPC130756
Intermediate Similarity 0.802 NPC12931
Intermediate Similarity 0.802 NPC70677
Intermediate Similarity 0.8019 NPC132720
Intermediate Similarity 0.8018 NPC93071
Intermediate Similarity 0.8018 NPC126002

Drug Structure

External Identifiers

TTD   DNC009127
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   31404
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  220.18
ALogP  3.2941
MLogP  3
XLogP  5.957
HDA  0
HBD  1
Rotatable Bonds  10
TPSA  20.23
RO5 Violation  1