Drug Information

Drug ID:  NPD342
Drug Name:  perillyl alcohol, University of Wisconsin
Molecular Formula:  C10H16O
Canonical SMILES:  OCC1=CCC(CC1)C(=C)C
Standard InCHI:  InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
Standard InCHIKey:  NDTYTMIUWGWIMO-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD342

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 NPC130209
High Similarity 1.0 NPC148216
High Similarity 1.0 NPC148163
High Similarity 0.9107 NPC66020
High Similarity 0.8889 NPC232247
High Similarity 0.8889 NPC251666
High Similarity 0.8846 NPC244038
High Similarity 0.8644 NPC107540
Intermediate Similarity 0.8448 NPC240506
Intermediate Similarity 0.8393 NPC48891
Intermediate Similarity 0.8361 NPC202017
Intermediate Similarity 0.8305 NPC68679
Intermediate Similarity 0.8305 NPC321867
Intermediate Similarity 0.8305 NPC207007
Intermediate Similarity 0.8235 NPC24824
Intermediate Similarity 0.8235 NPC210560
Intermediate Similarity 0.8235 NPC165651
Intermediate Similarity 0.8226 NPC171225
Intermediate Similarity 0.8103 NPC226848
Intermediate Similarity 0.8095 NPC96484
Intermediate Similarity 0.8065 NPC326310
Intermediate Similarity 0.8065 NPC267027
Intermediate Similarity 0.8033 NPC96793
Intermediate Similarity 0.8033 NPC323424
Intermediate Similarity 0.7969 NPC474248
Intermediate Similarity 0.7969 NPC471560
Intermediate Similarity 0.7966 NPC122239
Intermediate Similarity 0.7937 NPC114651
Intermediate Similarity 0.7937 NPC82337
Intermediate Similarity 0.7895 NPC298299
Intermediate Similarity 0.7869 NPC174956
Intermediate Similarity 0.7846 NPC34834
Intermediate Similarity 0.7833 NPC99487
Intermediate Similarity 0.7818 NPC26906
Intermediate Similarity 0.7818 NPC214584
Intermediate Similarity 0.7797 NPC155025
Intermediate Similarity 0.7742 NPC300593
Intermediate Similarity 0.7727 NPC23954
Intermediate Similarity 0.7705 NPC225342
Intermediate Similarity 0.7679 NPC179169
Intermediate Similarity 0.7679 NPC157781
Intermediate Similarity 0.7679 NPC306195
Intermediate Similarity 0.7679 NPC35519
Intermediate Similarity 0.7679 NPC181255
Intermediate Similarity 0.7667 NPC475931
Intermediate Similarity 0.7656 NPC69649
Intermediate Similarity 0.7656 NPC68703
Intermediate Similarity 0.7636 NPC26960
Intermediate Similarity 0.7636 NPC182102
Intermediate Similarity 0.7619 NPC471200
Intermediate Similarity 0.7612 NPC265485
Intermediate Similarity 0.7612 NPC220939
Intermediate Similarity 0.7581 NPC473508
Intermediate Similarity 0.7581 NPC474155
Intermediate Similarity 0.7581 NPC81615
Intermediate Similarity 0.7581 NPC473759
Intermediate Similarity 0.7547 NPC87439
Intermediate Similarity 0.7544 NPC474496
Intermediate Similarity 0.75 NPC269862
Intermediate Similarity 0.75 NPC162309
Intermediate Similarity 0.746 NPC309300
Intermediate Similarity 0.7424 NPC473893
Intermediate Similarity 0.7385 NPC197805
Intermediate Similarity 0.7385 NPC472875
Intermediate Similarity 0.7385 NPC477791
Intermediate Similarity 0.7385 NPC73603
Intermediate Similarity 0.7385 NPC136813
Intermediate Similarity 0.7368 NPC71506
Intermediate Similarity 0.7368 NPC294358
Intermediate Similarity 0.7368 NPC177112
Intermediate Similarity 0.7368 NPC40417
Intermediate Similarity 0.7353 NPC130665
Intermediate Similarity 0.7353 NPC474743
Intermediate Similarity 0.7344 NPC308844
Intermediate Similarity 0.7344 NPC19569
Intermediate Similarity 0.7302 NPC83200
Intermediate Similarity 0.7288 NPC329686
Intermediate Similarity 0.7288 NPC84824
Intermediate Similarity 0.7288 NPC67508
Intermediate Similarity 0.7288 NPC227135
Intermediate Similarity 0.7286 NPC244488
Intermediate Similarity 0.7286 NPC247325
Intermediate Similarity 0.7273 NPC216460
Intermediate Similarity 0.7273 NPC117804
Intermediate Similarity 0.7273 NPC471238
Intermediate Similarity 0.7273 NPC167527
Intermediate Similarity 0.7273 NPC208999
Intermediate Similarity 0.7246 NPC201048
Intermediate Similarity 0.7246 NPC476366
Intermediate Similarity 0.7231 NPC311736
Intermediate Similarity 0.7231 NPC279434
Intermediate Similarity 0.7231 NPC100719
Intermediate Similarity 0.7231 NPC476039
Intermediate Similarity 0.7231 NPC322035
Intermediate Similarity 0.7231 NPC222366
Intermediate Similarity 0.7231 NPC166791
Intermediate Similarity 0.7231 NPC286669
Intermediate Similarity 0.7222 NPC140501
Intermediate Similarity 0.7213 NPC181872
Intermediate Similarity 0.7213 NPC475830
Intermediate Similarity 0.7213 NPC10017
Intermediate Similarity 0.7206 NPC477792
Intermediate Similarity 0.7193 NPC473672
Intermediate Similarity 0.7193 NPC474495
Intermediate Similarity 0.7188 NPC110241
Intermediate Similarity 0.7188 NPC290367
Intermediate Similarity 0.7188 NPC225415
Intermediate Similarity 0.7183 NPC40049
Intermediate Similarity 0.7183 NPC474826
Intermediate Similarity 0.7183 NPC477426
Intermediate Similarity 0.7183 NPC91594
Intermediate Similarity 0.7183 NPC477425
Intermediate Similarity 0.7183 NPC477427
Intermediate Similarity 0.717 NPC252978
Intermediate Similarity 0.7167 NPC249645
Intermediate Similarity 0.7167 NPC55412
Intermediate Similarity 0.7167 NPC24443
Intermediate Similarity 0.7164 NPC90115
Intermediate Similarity 0.7164 NPC217570
Intermediate Similarity 0.7164 NPC329989
Intermediate Similarity 0.7164 NPC239373
Intermediate Similarity 0.7143 NPC194208
Intermediate Similarity 0.7143 NPC475251
Intermediate Similarity 0.7143 NPC32832
Intermediate Similarity 0.7143 NPC79576
Intermediate Similarity 0.7143 NPC282694
Intermediate Similarity 0.7143 NPC62755
Intermediate Similarity 0.7121 NPC163290
Intermediate Similarity 0.7121 NPC259299
Intermediate Similarity 0.7101 NPC14352
Intermediate Similarity 0.7101 NPC234527
Intermediate Similarity 0.7101 NPC186042
Intermediate Similarity 0.7083 NPC83351
Intermediate Similarity 0.7083 NPC167891
Intermediate Similarity 0.7077 NPC163678
Intermediate Similarity 0.7077 NPC287339
Intermediate Similarity 0.7069 NPC68014
Intermediate Similarity 0.7069 NPC35756
Intermediate Similarity 0.7059 NPC255042
Intermediate Similarity 0.7059 NPC182840
Intermediate Similarity 0.7059 NPC29091
Intermediate Similarity 0.7059 NPC103213
Intermediate Similarity 0.7059 NPC92801
Intermediate Similarity 0.7049 NPC11130
Intermediate Similarity 0.7042 NPC470749
Intermediate Similarity 0.7042 NPC265588
Intermediate Similarity 0.7042 NPC253190
Intermediate Similarity 0.7031 NPC211291
Intermediate Similarity 0.7031 NPC133368
Intermediate Similarity 0.7018 NPC329773
Intermediate Similarity 0.7018 NPC474460
Intermediate Similarity 0.7015 NPC224532
Intermediate Similarity 0.7015 NPC160209
Intermediate Similarity 0.7015 NPC305698
Intermediate Similarity 0.7015 NPC32055
Intermediate Similarity 0.7 NPC215050
Intermediate Similarity 0.7 NPC306727
Remote Similarity 0.6986 NPC47982
Remote Similarity 0.6986 NPC209430
Remote Similarity 0.6986 NPC30986
Remote Similarity 0.6986 NPC81306
Remote Similarity 0.6986 NPC143182
Remote Similarity 0.6986 NPC84694
Remote Similarity 0.6986 NPC109546
Remote Similarity 0.6986 NPC28862
Remote Similarity 0.6984 NPC471081
Remote Similarity 0.6984 NPC135648
Remote Similarity 0.697 NPC149680
Remote Similarity 0.6957 NPC95863
Remote Similarity 0.6957 NPC471268
Remote Similarity 0.6957 NPC469343
Remote Similarity 0.6957 NPC471272
Remote Similarity 0.6957 NPC471271
Remote Similarity 0.6957 NPC242992
Remote Similarity 0.6957 NPC471662
Remote Similarity 0.6957 NPC164022
Remote Similarity 0.6944 NPC471061
Remote Similarity 0.6944 NPC470711
Remote Similarity 0.6944 NPC74995
Remote Similarity 0.6944 NPC470758
Remote Similarity 0.6923 NPC68656
Remote Similarity 0.6909 NPC76976
Remote Similarity 0.6901 NPC313185
Remote Similarity 0.6901 NPC133580
Remote Similarity 0.6897 NPC129263
Remote Similarity 0.6897 NPC251335
Remote Similarity 0.6892 NPC271104
Remote Similarity 0.6892 NPC295131
Remote Similarity 0.6892 NPC234193
Remote Similarity 0.6885 NPC179024
Remote Similarity 0.6875 NPC210346
Remote Similarity 0.6857 NPC329763
Remote Similarity 0.6857 NPC471799
Remote Similarity 0.6857 NPC182717
Remote Similarity 0.6857 NPC474140
Remote Similarity 0.6852 NPC116934
Remote Similarity 0.6849 NPC297996
Remote Similarity 0.6849 NPC68119
Remote Similarity 0.6849 NPC13823
Remote Similarity 0.6849 NPC474216

Drug Structure

External Identifiers

TTD   DIB002634
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  152.12
ALogP  1.0517
MLogP  2.45
XLogP  1.848
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  20.23
RO5 Violation  0