Drug Information

Drug ID:  NPD288
Drug Name:  Thymol
Molecular Formula:  C10H14O
Canonical SMILES:  Cc1ccc(c(c1)O)C(C)C
Standard InCHI:  InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
Standard InCHIKey:  MGSRCZKZVOBKFT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD288

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 NPC259512
High Similarity 1.0 NPC312132
High Similarity 0.989 NPC6597
High Similarity 0.989 NPC79241
High Similarity 0.9677 NPC72729
High Similarity 0.957 NPC33675
High Similarity 0.957 NPC299762
High Similarity 0.9556 NPC231150
High Similarity 0.9375 NPC475225
High Similarity 0.9368 NPC252105
High Similarity 0.9348 NPC245187
High Similarity 0.9271 NPC235762
High Similarity 0.9271 NPC471228
High Similarity 0.9263 NPC174911
High Similarity 0.9239 NPC55903
High Similarity 0.9222 NPC27974
High Similarity 0.914 NPC152415
High Similarity 0.913 NPC304541
High Similarity 0.913 NPC306074
High Similarity 0.9111 NPC407
High Similarity 0.9111 NPC307235
High Similarity 0.9091 NPC66834
High Similarity 0.9082 NPC47284
High Similarity 0.9082 NPC117115
High Similarity 0.9053 NPC77492
High Similarity 0.9043 NPC8392
High Similarity 0.9032 NPC147284
High Similarity 0.9032 NPC162314
High Similarity 0.9032 NPC3358
High Similarity 0.9032 NPC210497
High Similarity 0.9032 NPC306884
High Similarity 0.9032 NPC94139
High Similarity 0.9022 NPC192
High Similarity 0.9 NPC64586
High Similarity 0.9 NPC155393
High Similarity 0.899 NPC310456
High Similarity 0.899 NPC21594
High Similarity 0.899 NPC53740
High Similarity 0.898 NPC475580
High Similarity 0.898 NPC272029
High Similarity 0.898 NPC238696
High Similarity 0.8969 NPC12221
High Similarity 0.8969 NPC477685
High Similarity 0.8913 NPC258219
High Similarity 0.8911 NPC58865
High Similarity 0.89 NPC151477
High Similarity 0.8889 NPC150837
High Similarity 0.8889 NPC286904
High Similarity 0.8866 NPC48730
High Similarity 0.8866 NPC129373
High Similarity 0.8866 NPC248396
High Similarity 0.8854 NPC152097
High Similarity 0.8854 NPC156313
High Similarity 0.8842 NPC222146
High Similarity 0.883 NPC29373
High Similarity 0.883 NPC271440
High Similarity 0.8812 NPC306295
High Similarity 0.8804 NPC19680
High Similarity 0.8788 NPC227458
High Similarity 0.8788 NPC218879
High Similarity 0.8788 NPC244513
High Similarity 0.8776 NPC80800
High Similarity 0.8763 NPC252821
High Similarity 0.8763 NPC122005
High Similarity 0.8763 NPC260775
High Similarity 0.8738 NPC224527
High Similarity 0.8737 NPC76938
High Similarity 0.8737 NPC316301
High Similarity 0.8737 NPC27323
High Similarity 0.8737 NPC289769
High Similarity 0.8725 NPC299568
High Similarity 0.8725 NPC186385
High Similarity 0.8723 NPC155908
High Similarity 0.8723 NPC204210
High Similarity 0.8713 NPC232523
High Similarity 0.8713 NPC158253
High Similarity 0.8713 NPC204901
High Similarity 0.8713 NPC320439
High Similarity 0.871 NPC242240
High Similarity 0.871 NPC318325
High Similarity 0.871 NPC123273
High Similarity 0.87 NPC37802
High Similarity 0.8696 NPC23167
High Similarity 0.8687 NPC269212
High Similarity 0.8687 NPC108497
High Similarity 0.8673 NPC70677
High Similarity 0.8673 NPC130756
High Similarity 0.8673 NPC12931
High Similarity 0.8673 NPC225506
High Similarity 0.866 NPC474073
High Similarity 0.866 NPC475078
High Similarity 0.8654 NPC250323
High Similarity 0.8654 NPC228452
High Similarity 0.8646 NPC32714
High Similarity 0.8646 NPC274678
High Similarity 0.8641 NPC132720
High Similarity 0.8627 NPC174981
High Similarity 0.8614 NPC201662
High Similarity 0.8614 NPC99836
High Similarity 0.8614 NPC12640
High Similarity 0.8602 NPC25493
High Similarity 0.8602 NPC113460
High Similarity 0.8587 NPC197783
High Similarity 0.8571 NPC715
High Similarity 0.8558 NPC266937
High Similarity 0.8558 NPC260323
High Similarity 0.8558 NPC470770
High Similarity 0.8558 NPC54373
High Similarity 0.8558 NPC77772
High Similarity 0.8558 NPC176279
High Similarity 0.8558 NPC469912
High Similarity 0.8558 NPC151537
High Similarity 0.8557 NPC202986
High Similarity 0.8544 NPC19808
High Similarity 0.8544 NPC314187
High Similarity 0.8544 NPC33728
High Similarity 0.8542 NPC128062
High Similarity 0.8515 NPC471350
High Similarity 0.8511 NPC280347
High Similarity 0.8511 NPC70436
High Similarity 0.8511 NPC177420
High Similarity 0.85 NPC168393
High Similarity 0.85 NPC233827
High Similarity 0.85 NPC24327
High Similarity 0.85 NPC12870
Intermediate Similarity 0.8491 NPC195922
Intermediate Similarity 0.8485 NPC130103
Intermediate Similarity 0.8485 NPC211885
Intermediate Similarity 0.8478 NPC248817
Intermediate Similarity 0.8478 NPC175313
Intermediate Similarity 0.8476 NPC46940
Intermediate Similarity 0.8476 NPC62867
Intermediate Similarity 0.8476 NPC302371
Intermediate Similarity 0.8476 NPC26615
Intermediate Similarity 0.8476 NPC177962
Intermediate Similarity 0.8469 NPC225464
Intermediate Similarity 0.8469 NPC32674
Intermediate Similarity 0.8462 NPC168855
Intermediate Similarity 0.8462 NPC141782
Intermediate Similarity 0.8462 NPC224870
Intermediate Similarity 0.8462 NPC13482
Intermediate Similarity 0.8454 NPC144682
Intermediate Similarity 0.8447 NPC11554
Intermediate Similarity 0.8431 NPC54765
Intermediate Similarity 0.8431 NPC155072
Intermediate Similarity 0.8431 NPC271274
Intermediate Similarity 0.8431 NPC469913
Intermediate Similarity 0.8421 NPC55561
Intermediate Similarity 0.8421 NPC312304
Intermediate Similarity 0.8416 NPC120719
Intermediate Similarity 0.8416 NPC102216
Intermediate Similarity 0.8416 NPC323810
Intermediate Similarity 0.8411 NPC246760
Intermediate Similarity 0.8411 NPC84999
Intermediate Similarity 0.84 NPC51015
Intermediate Similarity 0.8396 NPC190212
Intermediate Similarity 0.8396 NPC23804
Intermediate Similarity 0.8396 NPC319803
Intermediate Similarity 0.8384 NPC92730
Intermediate Similarity 0.8384 NPC128723
Intermediate Similarity 0.8381 NPC95716
Intermediate Similarity 0.837 NPC474354
Intermediate Similarity 0.837 NPC124436
Intermediate Similarity 0.837 NPC265146
Intermediate Similarity 0.8367 NPC292730
Intermediate Similarity 0.8367 NPC82664
Intermediate Similarity 0.8367 NPC473388
Intermediate Similarity 0.8367 NPC132271
Intermediate Similarity 0.8367 NPC216520
Intermediate Similarity 0.835 NPC474352
Intermediate Similarity 0.8333 NPC239291
Intermediate Similarity 0.8333 NPC138942
Intermediate Similarity 0.8333 NPC45040
Intermediate Similarity 0.8318 NPC249270
Intermediate Similarity 0.8317 NPC249828
Intermediate Similarity 0.8317 NPC146798
Intermediate Similarity 0.8317 NPC24404
Intermediate Similarity 0.8317 NPC71002
Intermediate Similarity 0.8317 NPC85479
Intermediate Similarity 0.8317 NPC106396
Intermediate Similarity 0.8317 NPC222522
Intermediate Similarity 0.8317 NPC168303
Intermediate Similarity 0.8317 NPC313030
Intermediate Similarity 0.8317 NPC302219
Intermediate Similarity 0.8317 NPC242342
Intermediate Similarity 0.8317 NPC168829
Intermediate Similarity 0.8317 NPC94351
Intermediate Similarity 0.8317 NPC53051
Intermediate Similarity 0.8302 NPC166995
Intermediate Similarity 0.8302 NPC471179
Intermediate Similarity 0.83 NPC10588
Intermediate Similarity 0.83 NPC294741
Intermediate Similarity 0.83 NPC166761
Intermediate Similarity 0.8298 NPC184169
Intermediate Similarity 0.8286 NPC296683
Intermediate Similarity 0.8283 NPC109955
Intermediate Similarity 0.8283 NPC88420
Intermediate Similarity 0.828 NPC93843
Intermediate Similarity 0.828 NPC474211
Intermediate Similarity 0.8269 NPC95344

Drug Structure

External Identifiers

TTD   DNAP001619
DrugBank   DB02513
ChEMBL   CHEMBL29411
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01039
PubChem CID   6989
ChEBI   27607
CAS Number  89-83-8

Drug Properties

Molecular Weight  150.10
ALogP  0.7546
MLogP  2.45
XLogP  3.556
HDA  0
HBD  1
Rotatable Bonds  5
TPSA  20.23
RO5 Violation  0