Drug Information

Drug ID:  NPD1336
Drug Name:  
Molecular Formula:  C14H17NO2
Canonical SMILES:  C1COC(CN1)COc1cccc2c1CC=C2
Standard InCHI:  InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2
Standard InCHIKey:  MADRVGBADLFHMO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1336

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 0.8806 NPC231163
High Similarity 0.8806 NPC318591
High Similarity 0.8538 NPC136112
High Similarity 0.8538 NPC141739
Intermediate Similarity 0.8258 NPC320242
Intermediate Similarity 0.7899 NPC307123
Intermediate Similarity 0.7899 NPC247018
Intermediate Similarity 0.7899 NPC97870
Intermediate Similarity 0.7836 NPC217277
Intermediate Similarity 0.7714 NPC160692
Intermediate Similarity 0.7704 NPC328267
Intermediate Similarity 0.763 NPC298486
Intermediate Similarity 0.7622 NPC253429
Intermediate Similarity 0.7586 NPC204546
Intermediate Similarity 0.7442 NPC95977
Intermediate Similarity 0.7426 NPC211992
Intermediate Similarity 0.7405 NPC26524
Intermediate Similarity 0.7388 NPC329980
Intermediate Similarity 0.7376 NPC160193
Intermediate Similarity 0.7364 NPC24777
Intermediate Similarity 0.7344 NPC186469
Intermediate Similarity 0.7342 NPC124433
Intermediate Similarity 0.7342 NPC293871
Intermediate Similarity 0.7338 NPC477564
Intermediate Similarity 0.7338 NPC2295
Intermediate Similarity 0.7313 NPC120075
Intermediate Similarity 0.7267 NPC130926
Intermediate Similarity 0.7258 NPC95755
Intermediate Similarity 0.7252 NPC21890
Intermediate Similarity 0.7244 NPC323443
Intermediate Similarity 0.7244 NPC180756
Intermediate Similarity 0.72 NPC294249
Intermediate Similarity 0.7194 NPC255253
Intermediate Similarity 0.719 NPC207824
Intermediate Similarity 0.719 NPC60538
Intermediate Similarity 0.7134 NPC170503
Intermediate Similarity 0.7134 NPC203784
Intermediate Similarity 0.7134 NPC126519
Intermediate Similarity 0.7134 NPC476443
Intermediate Similarity 0.7134 NPC133817
Intermediate Similarity 0.7133 NPC262641
Intermediate Similarity 0.7132 NPC283616
Intermediate Similarity 0.7132 NPC326801
Intermediate Similarity 0.712 NPC313918
Intermediate Similarity 0.7114 NPC323204
Intermediate Similarity 0.7107 NPC158900
Intermediate Similarity 0.7101 NPC473875
Intermediate Similarity 0.7097 NPC277669
Intermediate Similarity 0.7097 NPC76213
Intermediate Similarity 0.709 NPC470837
Intermediate Similarity 0.7077 NPC258171
Intermediate Similarity 0.7077 NPC194034
Intermediate Similarity 0.7075 NPC469808
Intermediate Similarity 0.7075 NPC7018
Intermediate Similarity 0.7066 NPC267408
Intermediate Similarity 0.7059 NPC476144
Intermediate Similarity 0.7059 NPC16107
Intermediate Similarity 0.7059 NPC137096
Intermediate Similarity 0.7059 NPC476151
Intermediate Similarity 0.7059 NPC51957
Intermediate Similarity 0.7059 NPC210437
Intermediate Similarity 0.7059 NPC106295
Intermediate Similarity 0.7054 NPC42383
Intermediate Similarity 0.7047 NPC314682
Intermediate Similarity 0.7032 NPC274026
Intermediate Similarity 0.7031 NPC12870
Intermediate Similarity 0.7031 NPC24327
Intermediate Similarity 0.7029 NPC321133
Intermediate Similarity 0.7025 NPC29647
Intermediate Similarity 0.7023 NPC97811
Intermediate Similarity 0.7019 NPC475393
Intermediate Similarity 0.7013 NPC7467
Intermediate Similarity 0.7 NPC213206
Intermediate Similarity 0.7 NPC328750
Intermediate Similarity 0.7 NPC474915
Intermediate Similarity 0.7 NPC188163
Remote Similarity 0.6993 NPC469386
Remote Similarity 0.6993 NPC473934
Remote Similarity 0.6993 NPC98745
Remote Similarity 0.6986 NPC325568
Remote Similarity 0.6985 NPC154256
Remote Similarity 0.6985 NPC290470
Remote Similarity 0.6981 NPC78359
Remote Similarity 0.6981 NPC40389
Remote Similarity 0.6981 NPC79328
Remote Similarity 0.6981 NPC65490
Remote Similarity 0.6981 NPC315707
Remote Similarity 0.6981 NPC129603
Remote Similarity 0.6981 NPC148014
Remote Similarity 0.6978 NPC212559
Remote Similarity 0.6978 NPC475529
Remote Similarity 0.6977 NPC241224
Remote Similarity 0.6975 NPC39103
Remote Similarity 0.6975 NPC2770
Remote Similarity 0.6968 NPC103379
Remote Similarity 0.6968 NPC477565
Remote Similarity 0.6966 NPC329595
Remote Similarity 0.6966 NPC11089
Remote Similarity 0.6966 NPC326599
Remote Similarity 0.6959 NPC131204
Remote Similarity 0.6959 NPC301050
Remote Similarity 0.695 NPC13020
Remote Similarity 0.695 NPC140359
Remote Similarity 0.695 NPC474130
Remote Similarity 0.6943 NPC206372
Remote Similarity 0.6943 NPC82285
Remote Similarity 0.6943 NPC203424
Remote Similarity 0.6943 NPC114124
Remote Similarity 0.6943 NPC148898
Remote Similarity 0.6943 NPC133011
Remote Similarity 0.694 NPC280760
Remote Similarity 0.6937 NPC59028
Remote Similarity 0.6937 NPC92191
Remote Similarity 0.6937 NPC7393
Remote Similarity 0.6933 NPC304659
Remote Similarity 0.6933 NPC86144
Remote Similarity 0.6933 NPC124657
Remote Similarity 0.6929 NPC475839
Remote Similarity 0.6918 NPC474200
Remote Similarity 0.6918 NPC118419
Remote Similarity 0.6918 NPC37205
Remote Similarity 0.6918 NPC160931
Remote Similarity 0.6914 NPC218614
Remote Similarity 0.6914 NPC189470
Remote Similarity 0.6913 NPC252107
Remote Similarity 0.6912 NPC283169
Remote Similarity 0.6906 NPC232295
Remote Similarity 0.6903 NPC59907
Remote Similarity 0.6903 NPC37144
Remote Similarity 0.6901 NPC105513
Remote Similarity 0.6894 NPC18402
Remote Similarity 0.6886 NPC329969
Remote Similarity 0.6879 NPC46586
Remote Similarity 0.6879 NPC204535
Remote Similarity 0.6875 NPC172403
Remote Similarity 0.6871 NPC247972
Remote Similarity 0.687 NPC30416
Remote Similarity 0.6866 NPC470723
Remote Similarity 0.6866 NPC55300
Remote Similarity 0.6864 NPC243454
Remote Similarity 0.6864 NPC475479
Remote Similarity 0.6857 NPC45663
Remote Similarity 0.6855 NPC187022
Remote Similarity 0.6855 NPC78733
Remote Similarity 0.6855 NPC216459
Remote Similarity 0.6855 NPC41178
Remote Similarity 0.6855 NPC80129
Remote Similarity 0.6855 NPC93593
Remote Similarity 0.6855 NPC138487
Remote Similarity 0.685 NPC470161
Remote Similarity 0.6849 NPC476570
Remote Similarity 0.6846 NPC292792
Remote Similarity 0.6846 NPC108875
Remote Similarity 0.6846 NPC99078
Remote Similarity 0.6846 NPC38079
Remote Similarity 0.6839 NPC90844
Remote Similarity 0.6839 NPC253883
Remote Similarity 0.6839 NPC95075
Remote Similarity 0.6835 NPC51341
Remote Similarity 0.6835 NPC32152
Remote Similarity 0.6829 NPC81247
Remote Similarity 0.6829 NPC195392
Remote Similarity 0.6829 NPC35627
Remote Similarity 0.6829 NPC476573
Remote Similarity 0.6828 NPC31707
Remote Similarity 0.6828 NPC283079
Remote Similarity 0.6828 NPC471306
Remote Similarity 0.6828 NPC471321
Remote Similarity 0.6824 NPC239584
Remote Similarity 0.6824 NPC167096
Remote Similarity 0.6818 NPC233320
Remote Similarity 0.6818 NPC185838
Remote Similarity 0.6818 NPC145304
Remote Similarity 0.6815 NPC474920
Remote Similarity 0.6815 NPC165646
Remote Similarity 0.6813 NPC146288
Remote Similarity 0.6813 NPC234392
Remote Similarity 0.6813 NPC147091
Remote Similarity 0.6813 NPC31311
Remote Similarity 0.6809 NPC216929
Remote Similarity 0.6809 NPC172676
Remote Similarity 0.6809 NPC290451
Remote Similarity 0.6809 NPC168707
Remote Similarity 0.6809 NPC127389
Remote Similarity 0.6809 NPC65933
Remote Similarity 0.6809 NPC57268
Remote Similarity 0.6809 NPC48623
Remote Similarity 0.6809 NPC312713
Remote Similarity 0.6809 NPC126935
Remote Similarity 0.6803 NPC284232
Remote Similarity 0.68 NPC220923
Remote Similarity 0.68 NPC475628
Remote Similarity 0.68 NPC225745
Remote Similarity 0.6797 NPC476567
Remote Similarity 0.6797 NPC136860
Remote Similarity 0.6797 NPC128019
Remote Similarity 0.6795 NPC475959
Remote Similarity 0.6794 NPC473855
Remote Similarity 0.6794 NPC475269
Remote Similarity 0.6794 NPC470393

Drug Structure

External Identifiers

TTD   DIB015590
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  231.13
ALogP  0.0564
MLogP  2.67
XLogP  2.328
HDA  2
HBD  1
Rotatable Bonds  3
TPSA  30.49
RO5 Violation  0