Drug Information

Drug ID:  NPD289
Drug Name:  
Molecular Formula:  C10H14O2
Canonical SMILES:  Oc1ccc(c(c1)C(C)(C)C)O
Standard InCHI:  InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
Standard InCHIKey:  BGNXCDMCOKJUMV-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD289

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 0.9588 NPC47284
High Similarity 0.9583 NPC269212
High Similarity 0.949 NPC53740
High Similarity 0.9394 NPC320439
High Similarity 0.9375 NPC48730
High Similarity 0.9375 NPC248396
High Similarity 0.9375 NPC129373
High Similarity 0.9368 NPC152097
High Similarity 0.9355 NPC55903
High Similarity 0.9355 NPC29373
High Similarity 0.9293 NPC155072
High Similarity 0.9286 NPC475580
High Similarity 0.9278 NPC12221
High Similarity 0.9271 NPC299762
High Similarity 0.9271 NPC260775
High Similarity 0.9271 NPC33675
High Similarity 0.9255 NPC152415
High Similarity 0.9247 NPC306074
High Similarity 0.9184 NPC108497
High Similarity 0.9175 NPC12931
High Similarity 0.9175 NPC130756
High Similarity 0.9175 NPC70677
High Similarity 0.9167 NPC475078
High Similarity 0.9091 NPC272029
High Similarity 0.9082 NPC477685
High Similarity 0.9082 NPC252105
High Similarity 0.9062 NPC312132
High Similarity 0.9062 NPC259512
High Similarity 0.9053 NPC245187
High Similarity 0.9029 NPC275627
High Similarity 0.9029 NPC266937
High Similarity 0.9029 NPC77772
High Similarity 0.9029 NPC470770
High Similarity 0.899 NPC233827
High Similarity 0.898 NPC174911
High Similarity 0.898 NPC72729
High Similarity 0.898 NPC130103
High Similarity 0.8969 NPC79241
High Similarity 0.8969 NPC6597
High Similarity 0.8958 NPC222146
High Similarity 0.8942 NPC62867
High Similarity 0.8942 NPC177962
High Similarity 0.8925 NPC27974
High Similarity 0.8911 NPC310456
High Similarity 0.8911 NPC54765
High Similarity 0.89 NPC475225
High Similarity 0.8889 NPC80800
High Similarity 0.8878 NPC122005
High Similarity 0.8878 NPC252821
High Similarity 0.8854 NPC289769
High Similarity 0.8854 NPC316301
High Similarity 0.8854 NPC27323
High Similarity 0.8842 NPC155908
High Similarity 0.8842 NPC231150
High Similarity 0.8817 NPC307235
High Similarity 0.8817 NPC407
High Similarity 0.88 NPC235762
High Similarity 0.88 NPC471228
High Similarity 0.8788 NPC225506
High Similarity 0.8776 NPC88420
High Similarity 0.8776 NPC474073
High Similarity 0.8762 NPC98372
High Similarity 0.875 NPC162314
High Similarity 0.875 NPC94139
High Similarity 0.875 NPC306884
High Similarity 0.875 NPC147284
High Similarity 0.875 NPC210497
High Similarity 0.875 NPC3358
High Similarity 0.8738 NPC306295
High Similarity 0.8738 NPC95344
High Similarity 0.8737 NPC192
High Similarity 0.8725 NPC67250
High Similarity 0.8725 NPC469913
High Similarity 0.8713 NPC120719
High Similarity 0.8713 NPC130817
High Similarity 0.871 NPC155393
High Similarity 0.8687 NPC92730
High Similarity 0.8667 NPC54373
High Similarity 0.8654 NPC473524
High Similarity 0.8646 NPC304541
High Similarity 0.8641 NPC66834
High Similarity 0.8641 NPC233320
High Similarity 0.8611 NPC141001
High Similarity 0.8602 NPC286904
High Similarity 0.8602 NPC150837
High Similarity 0.86 NPC211885
High Similarity 0.8598 NPC471534
High Similarity 0.8586 NPC77492
High Similarity 0.8586 NPC225464
High Similarity 0.8586 NPC156313
High Similarity 0.8585 NPC302371
High Similarity 0.8571 NPC144682
High Similarity 0.8571 NPC274678
High Similarity 0.8571 NPC8392
High Similarity 0.8558 NPC64586
High Similarity 0.8558 NPC279887
High Similarity 0.8558 NPC68260
High Similarity 0.8557 NPC271440
High Similarity 0.8544 NPC477814
High Similarity 0.8542 NPC312304
High Similarity 0.8532 NPC320864
High Similarity 0.8529 NPC93831
High Similarity 0.8526 NPC19680
Intermediate Similarity 0.8491 NPC469912
Intermediate Similarity 0.8476 NPC26013
Intermediate Similarity 0.8476 NPC98392
Intermediate Similarity 0.8476 NPC282855
Intermediate Similarity 0.8469 NPC128062
Intermediate Similarity 0.8469 NPC76938
Intermediate Similarity 0.8462 NPC474352
Intermediate Similarity 0.8454 NPC204210
Intermediate Similarity 0.8447 NPC471350
Intermediate Similarity 0.8447 NPC138942
Intermediate Similarity 0.8438 NPC258219
Intermediate Similarity 0.8438 NPC318325
Intermediate Similarity 0.8438 NPC123273
Intermediate Similarity 0.8438 NPC242240
Intermediate Similarity 0.8431 NPC168393
Intermediate Similarity 0.8421 NPC23167
Intermediate Similarity 0.8396 NPC13482
Intermediate Similarity 0.8396 NPC208229
Intermediate Similarity 0.8384 NPC32714
Intermediate Similarity 0.8378 NPC471449
Intermediate Similarity 0.8378 NPC323074
Intermediate Similarity 0.835 NPC102216
Intermediate Similarity 0.835 NPC218879
Intermediate Similarity 0.835 NPC323810
Intermediate Similarity 0.835 NPC288411
Intermediate Similarity 0.835 NPC244513
Intermediate Similarity 0.835 NPC227458
Intermediate Similarity 0.835 NPC238696
Intermediate Similarity 0.8333 NPC113460
Intermediate Similarity 0.8333 NPC25493
Intermediate Similarity 0.8318 NPC228609
Intermediate Similarity 0.8317 NPC128723
Intermediate Similarity 0.8316 NPC197783
Intermediate Similarity 0.8304 NPC477037
Intermediate Similarity 0.8304 NPC325544
Intermediate Similarity 0.8304 NPC318581
Intermediate Similarity 0.83 NPC202986
Intermediate Similarity 0.8286 NPC158253
Intermediate Similarity 0.8286 NPC204901
Intermediate Similarity 0.8286 NPC232523
Intermediate Similarity 0.8269 NPC117115
Intermediate Similarity 0.8269 NPC37802
Intermediate Similarity 0.8265 NPC45040
Intermediate Similarity 0.8265 NPC270547
Intermediate Similarity 0.8252 NPC168829
Intermediate Similarity 0.8252 NPC53051
Intermediate Similarity 0.8252 NPC85479
Intermediate Similarity 0.8252 NPC24404
Intermediate Similarity 0.8252 NPC106396
Intermediate Similarity 0.8252 NPC222522
Intermediate Similarity 0.8252 NPC94351
Intermediate Similarity 0.8252 NPC302219
Intermediate Similarity 0.8252 NPC71002
Intermediate Similarity 0.8252 NPC168303
Intermediate Similarity 0.8252 NPC242342
Intermediate Similarity 0.8252 NPC313030
Intermediate Similarity 0.8252 NPC249828
Intermediate Similarity 0.8252 NPC146798
Intermediate Similarity 0.8247 NPC98772
Intermediate Similarity 0.8247 NPC280347
Intermediate Similarity 0.8247 NPC177420
Intermediate Similarity 0.8247 NPC70436
Intermediate Similarity 0.8241 NPC228425
Intermediate Similarity 0.8241 NPC250323
Intermediate Similarity 0.8241 NPC228452
Intermediate Similarity 0.8235 NPC166761
Intermediate Similarity 0.8235 NPC10588
Intermediate Similarity 0.8235 NPC294741
Intermediate Similarity 0.8229 NPC184169
Intermediate Similarity 0.8224 NPC132720
Intermediate Similarity 0.8224 NPC141782
Intermediate Similarity 0.8224 NPC471535
Intermediate Similarity 0.8218 NPC32674
Intermediate Similarity 0.8218 NPC109955
Intermediate Similarity 0.8211 NPC248817
Intermediate Similarity 0.8211 NPC175313
Intermediate Similarity 0.8208 NPC174981
Intermediate Similarity 0.8208 NPC241549
Intermediate Similarity 0.8208 NPC169450
Intermediate Similarity 0.82 NPC26244
Intermediate Similarity 0.819 NPC201662
Intermediate Similarity 0.819 NPC21594
Intermediate Similarity 0.819 NPC99836
Intermediate Similarity 0.819 NPC12640
Intermediate Similarity 0.8182 NPC232165
Intermediate Similarity 0.8182 NPC325292
Intermediate Similarity 0.8182 NPC138117
Intermediate Similarity 0.8165 NPC296144
Intermediate Similarity 0.8165 NPC28784
Intermediate Similarity 0.8163 NPC300017
Intermediate Similarity 0.8163 NPC47950
Intermediate Similarity 0.8163 NPC55561
Intermediate Similarity 0.8155 NPC192032
Intermediate Similarity 0.8155 NPC11280
Intermediate Similarity 0.8155 NPC100340
Intermediate Similarity 0.8155 NPC147310
Intermediate Similarity 0.8155 NPC143659

Drug Structure

External Identifiers

TTD   DCL000226
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   24759807
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  166.10
ALogP  0.6356
MLogP  2.34
XLogP  2.665
HDA  0
HBD  2
Rotatable Bonds  6
TPSA  40.46
RO5 Violation  0