Drug Information

Drug ID:  NPD1432
Drug Name:  
Molecular Formula:  C14H22O
Canonical SMILES:  CC(c1ccc(cc1)O)(CC(C)(C)C)C
Standard InCHI:  InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
Standard InCHIKey:  ISAVYTVYFVQUDY-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1432

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 NPC316301
High Similarity 1.0 NPC27323
High Similarity 0.9773 NPC155908
High Similarity 0.967 NPC225464
High Similarity 0.9565 NPC122005
High Similarity 0.9565 NPC92730
High Similarity 0.9565 NPC252821
High Similarity 0.9556 NPC152415
High Similarity 0.9551 NPC304541
High Similarity 0.9545 NPC123273
High Similarity 0.9545 NPC318325
High Similarity 0.9545 NPC242240
High Similarity 0.9462 NPC225506
High Similarity 0.9444 NPC55903
High Similarity 0.9432 NPC113460
High Similarity 0.9432 NPC25493
High Similarity 0.9333 NPC306074
High Similarity 0.9326 NPC177420
High Similarity 0.9326 NPC280347
High Similarity 0.9326 NPC98772
High Similarity 0.9326 NPC258219
High Similarity 0.9318 NPC23167
High Similarity 0.9318 NPC184169
High Similarity 0.9255 NPC211885
High Similarity 0.9247 NPC77492
High Similarity 0.9239 NPC144682
High Similarity 0.9239 NPC222146
High Similarity 0.9222 NPC55561
High Similarity 0.9205 NPC197783
High Similarity 0.9149 NPC33675
High Similarity 0.9149 NPC299762
High Similarity 0.913 NPC289769
High Similarity 0.9121 NPC270547
High Similarity 0.9091 NPC175313
High Similarity 0.9091 NPC248817
High Similarity 0.9032 NPC26244
High Similarity 0.9032 NPC8392
High Similarity 0.9022 NPC147284
High Similarity 0.9022 NPC162314
High Similarity 0.9022 NPC3358
High Similarity 0.9022 NPC94139
High Similarity 0.9022 NPC210497
High Similarity 0.9022 NPC306884
High Similarity 0.9011 NPC192
High Similarity 0.9 NPC27974
High Similarity 0.898 NPC477814
High Similarity 0.8977 NPC124436
High Similarity 0.8977 NPC265146
High Similarity 0.8969 NPC120719
High Similarity 0.8958 NPC252105
High Similarity 0.8936 NPC132271
High Similarity 0.8936 NPC82664
High Similarity 0.8936 NPC292730
High Similarity 0.8936 NPC473388
High Similarity 0.8936 NPC216520
High Similarity 0.8925 NPC151715
High Similarity 0.8913 NPC45040
High Similarity 0.8913 NPC204210
High Similarity 0.8889 NPC407
High Similarity 0.8889 NPC307235
High Similarity 0.8842 NPC79241
High Similarity 0.8842 NPC6597
High Similarity 0.883 NPC274678
High Similarity 0.8817 NPC325292
High Similarity 0.8817 NPC138117
High Similarity 0.8804 NPC300017
High Similarity 0.8778 NPC155393
High Similarity 0.8763 NPC101025
High Similarity 0.8763 NPC471578
High Similarity 0.875 NPC128723
High Similarity 0.8737 NPC312132
High Similarity 0.8737 NPC259512
High Similarity 0.8737 NPC202986
High Similarity 0.8723 NPC128062
High Similarity 0.8723 NPC76938
High Similarity 0.8723 NPC245187
High Similarity 0.8696 NPC70436
High Similarity 0.8687 NPC47284
High Similarity 0.8687 NPC138942
High Similarity 0.8673 NPC62351
High Similarity 0.8673 NPC168829
High Similarity 0.8673 NPC269212
High Similarity 0.8667 NPC286904
High Similarity 0.8667 NPC150837
High Similarity 0.866 NPC72729
High Similarity 0.8646 NPC474073
High Similarity 0.8646 NPC32674
High Similarity 0.8632 NPC313650
High Similarity 0.8632 NPC32714
High Similarity 0.8627 NPC13482
High Similarity 0.8617 NPC271440
High Similarity 0.86 NPC310456
High Similarity 0.86 NPC53740
High Similarity 0.86 NPC271274
High Similarity 0.8587 NPC19680
High Similarity 0.8587 NPC104216
High Similarity 0.8586 NPC288411
High Similarity 0.8571 NPC472585
High Similarity 0.8557 NPC51333
High Similarity 0.8557 NPC78119
High Similarity 0.8557 NPC132078
High Similarity 0.8557 NPC216468
High Similarity 0.8544 NPC322753
High Similarity 0.8515 NPC320439
High Similarity 0.8511 NPC231150
High Similarity 0.85 NPC219286
High Similarity 0.85 NPC99557
Intermediate Similarity 0.8485 NPC196479
Intermediate Similarity 0.8469 NPC248396
Intermediate Similarity 0.8469 NPC48730
Intermediate Similarity 0.8469 NPC213730
Intermediate Similarity 0.8469 NPC129373
Intermediate Similarity 0.8462 NPC250323
Intermediate Similarity 0.8462 NPC228425
Intermediate Similarity 0.8454 NPC260000
Intermediate Similarity 0.8454 NPC109955
Intermediate Similarity 0.8454 NPC152097
Intermediate Similarity 0.8447 NPC141782
Intermediate Similarity 0.8431 NPC64586
Intermediate Similarity 0.8431 NPC11554
Intermediate Similarity 0.8431 NPC470039
Intermediate Similarity 0.8431 NPC306295
Intermediate Similarity 0.8421 NPC181709
Intermediate Similarity 0.8416 NPC21594
Intermediate Similarity 0.8416 NPC155072
Intermediate Similarity 0.8404 NPC300478
Intermediate Similarity 0.84 NPC327811
Intermediate Similarity 0.84 NPC475225
Intermediate Similarity 0.84 NPC254965
Intermediate Similarity 0.8384 NPC7686
Intermediate Similarity 0.8384 NPC40258
Intermediate Similarity 0.8384 NPC91461
Intermediate Similarity 0.8367 NPC280869
Intermediate Similarity 0.8367 NPC260775
Intermediate Similarity 0.8367 NPC80027
Intermediate Similarity 0.8365 NPC176279
Intermediate Similarity 0.8365 NPC260323
Intermediate Similarity 0.8352 NPC474354
Intermediate Similarity 0.835 NPC58865
Intermediate Similarity 0.835 NPC254833
Intermediate Similarity 0.835 NPC228343
Intermediate Similarity 0.8333 NPC151477
Intermediate Similarity 0.8333 NPC228737
Intermediate Similarity 0.8317 NPC233396
Intermediate Similarity 0.8317 NPC303141
Intermediate Similarity 0.8317 NPC239291
Intermediate Similarity 0.8317 NPC154899
Intermediate Similarity 0.8315 NPC133050
Intermediate Similarity 0.8302 NPC195922
Intermediate Similarity 0.83 NPC24404
Intermediate Similarity 0.83 NPC302219
Intermediate Similarity 0.83 NPC471228
Intermediate Similarity 0.83 NPC222522
Intermediate Similarity 0.83 NPC94351
Intermediate Similarity 0.83 NPC71002
Intermediate Similarity 0.83 NPC168303
Intermediate Similarity 0.83 NPC85479
Intermediate Similarity 0.83 NPC313030
Intermediate Similarity 0.83 NPC53051
Intermediate Similarity 0.83 NPC242342
Intermediate Similarity 0.83 NPC106396
Intermediate Similarity 0.83 NPC235762
Intermediate Similarity 0.83 NPC108497
Intermediate Similarity 0.83 NPC146798
Intermediate Similarity 0.83 NPC249828
Intermediate Similarity 0.8283 NPC12931
Intermediate Similarity 0.8283 NPC70677
Intermediate Similarity 0.8283 NPC10588
Intermediate Similarity 0.8283 NPC166761
Intermediate Similarity 0.8283 NPC130756
Intermediate Similarity 0.8283 NPC174911
Intermediate Similarity 0.8283 NPC294741
Intermediate Similarity 0.8269 NPC296683
Intermediate Similarity 0.8265 NPC156313
Intermediate Similarity 0.8265 NPC107619
Intermediate Similarity 0.8265 NPC475078
Intermediate Similarity 0.8261 NPC474211
Intermediate Similarity 0.8252 NPC201959
Intermediate Similarity 0.8252 NPC262365
Intermediate Similarity 0.8252 NPC75440
Intermediate Similarity 0.8247 NPC107522
Intermediate Similarity 0.8242 NPC168855
Intermediate Similarity 0.8235 NPC92623
Intermediate Similarity 0.8235 NPC248904
Intermediate Similarity 0.8235 NPC54765
Intermediate Similarity 0.8235 NPC113457
Intermediate Similarity 0.8235 NPC135464
Intermediate Similarity 0.8229 NPC29373
Intermediate Similarity 0.8218 NPC323810
Intermediate Similarity 0.8218 NPC120693
Intermediate Similarity 0.8218 NPC30506
Intermediate Similarity 0.8218 NPC119860
Intermediate Similarity 0.8218 NPC475580
Intermediate Similarity 0.8218 NPC8931
Intermediate Similarity 0.8218 NPC261573
Intermediate Similarity 0.8218 NPC471511
Intermediate Similarity 0.8211 NPC312304
Intermediate Similarity 0.82 NPC137415
Intermediate Similarity 0.82 NPC72947
Intermediate Similarity 0.82 NPC192032

Drug Structure

External Identifiers

TTD   DCL000254
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   71388
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  206.17
ALogP  2.4663
MLogP  2.89
XLogP  6.302
HDA  0
HBD  1
Rotatable Bonds  9
TPSA  20.23
RO5 Violation  1