Drug Information

Drug ID:  NPD2669
Drug Name:  
Molecular Formula:  C17H27NO2
Canonical SMILES:  CCCN(C1Cc2c(C1)cc(c(c2)OC)OC)CCC
Standard InCHI:  InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
Standard InCHIKey:  UOLJKAPABHXFRE-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2669

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 0.8769 NPC160193
High Similarity 0.8741 NPC314682
High Similarity 0.8676 NPC474915
High Similarity 0.8676 NPC188163
High Similarity 0.8676 NPC328750
High Similarity 0.8676 NPC213206
High Similarity 0.8593 NPC253429
High Similarity 0.8582 NPC11147
High Similarity 0.8551 NPC128019
High Similarity 0.8551 NPC476567
High Similarity 0.8551 NPC136860
High Similarity 0.8516 NPC298486
Intermediate Similarity 0.8496 NPC118419
Intermediate Similarity 0.8473 NPC172403
Intermediate Similarity 0.8429 NPC185838
Intermediate Similarity 0.8429 NPC130926
Intermediate Similarity 0.8421 NPC476570
Intermediate Similarity 0.8382 NPC7018
Intermediate Similarity 0.838 NPC475959
Intermediate Similarity 0.831 NPC321505
Intermediate Similarity 0.831 NPC210437
Intermediate Similarity 0.831 NPC106295
Intermediate Similarity 0.831 NPC476144
Intermediate Similarity 0.831 NPC51957
Intermediate Similarity 0.831 NPC179825
Intermediate Similarity 0.831 NPC16107
Intermediate Similarity 0.831 NPC191376
Intermediate Similarity 0.8296 NPC160692
Intermediate Similarity 0.8252 NPC147390
Intermediate Similarity 0.8252 NPC7467
Intermediate Similarity 0.8252 NPC476571
Intermediate Similarity 0.8252 NPC428
Intermediate Similarity 0.8252 NPC135538
Intermediate Similarity 0.8252 NPC246587
Intermediate Similarity 0.8252 NPC24233
Intermediate Similarity 0.8248 NPC301050
Intermediate Similarity 0.8248 NPC42793
Intermediate Similarity 0.8248 NPC231884
Intermediate Similarity 0.8248 NPC131204
Intermediate Similarity 0.8248 NPC167944
Intermediate Similarity 0.8243 NPC118804
Intermediate Similarity 0.8194 NPC219162
Intermediate Similarity 0.8189 NPC120075
Intermediate Similarity 0.8188 NPC193528
Intermediate Similarity 0.8182 NPC476151
Intermediate Similarity 0.8154 NPC211992
Intermediate Similarity 0.8151 NPC233029
Intermediate Similarity 0.8151 NPC210148
Intermediate Similarity 0.8138 NPC88249
Intermediate Similarity 0.8138 NPC274026
Intermediate Similarity 0.8138 NPC97221
Intermediate Similarity 0.8138 NPC151895
Intermediate Similarity 0.8138 NPC192768
Intermediate Similarity 0.8138 NPC220858
Intermediate Similarity 0.8125 NPC130941
Intermediate Similarity 0.8099 NPC294249
Intermediate Similarity 0.8082 NPC85747
Intermediate Similarity 0.8082 NPC476568
Intermediate Similarity 0.8082 NPC81733
Intermediate Similarity 0.8082 NPC8337
Intermediate Similarity 0.8082 NPC326316
Intermediate Similarity 0.8074 NPC262641
Intermediate Similarity 0.8069 NPC207824
Intermediate Similarity 0.8069 NPC92541
Intermediate Similarity 0.8069 NPC60538
Intermediate Similarity 0.8069 NPC103379
Intermediate Similarity 0.8069 NPC477565
Intermediate Similarity 0.806 NPC291847
Intermediate Similarity 0.8056 NPC95075
Intermediate Similarity 0.8056 NPC253883
Intermediate Similarity 0.8056 NPC90844
Intermediate Similarity 0.8043 NPC475828
Intermediate Similarity 0.8042 NPC145304
Intermediate Similarity 0.8041 NPC78733
Intermediate Similarity 0.8041 NPC41178
Intermediate Similarity 0.8041 NPC138487
Intermediate Similarity 0.8041 NPC216459
Intermediate Similarity 0.8027 NPC82285
Intermediate Similarity 0.8027 NPC148898
Intermediate Similarity 0.8027 NPC133011
Intermediate Similarity 0.8 NPC210086
Intermediate Similarity 0.7987 NPC146288
Intermediate Similarity 0.7987 NPC147091
Intermediate Similarity 0.7987 NPC180756
Intermediate Similarity 0.7987 NPC323443
Intermediate Similarity 0.7985 NPC301713
Intermediate Similarity 0.7959 NPC76213
Intermediate Similarity 0.7959 NPC476579
Intermediate Similarity 0.7959 NPC277669
Intermediate Similarity 0.7931 NPC144863
Intermediate Similarity 0.7926 NPC153990
Intermediate Similarity 0.7919 NPC184026
Intermediate Similarity 0.7919 NPC189266
Intermediate Similarity 0.7919 NPC2413
Intermediate Similarity 0.7919 NPC193949
Intermediate Similarity 0.7919 NPC127674
Intermediate Similarity 0.7919 NPC278799
Intermediate Similarity 0.7919 NPC187022
Intermediate Similarity 0.7919 NPC204828
Intermediate Similarity 0.7919 NPC276588
Intermediate Similarity 0.7919 NPC54379
Intermediate Similarity 0.7919 NPC207757
Intermediate Similarity 0.7919 NPC249797
Intermediate Similarity 0.7919 NPC5238
Intermediate Similarity 0.7919 NPC39701
Intermediate Similarity 0.7919 NPC469817
Intermediate Similarity 0.7919 NPC99659
Intermediate Similarity 0.7919 NPC80129
Intermediate Similarity 0.7919 NPC172765
Intermediate Similarity 0.7919 NPC325871
Intermediate Similarity 0.7919 NPC110416
Intermediate Similarity 0.7919 NPC295691
Intermediate Similarity 0.7908 NPC39103
Intermediate Similarity 0.7908 NPC2770
Intermediate Similarity 0.7891 NPC223125
Intermediate Similarity 0.7887 NPC323204
Intermediate Similarity 0.7881 NPC477080
Intermediate Similarity 0.7881 NPC111485
Intermediate Similarity 0.7871 NPC470324
Intermediate Similarity 0.7867 NPC25084
Intermediate Similarity 0.7867 NPC31311
Intermediate Similarity 0.7867 NPC234392
Intermediate Similarity 0.7867 NPC247639
Intermediate Similarity 0.7862 NPC473934
Intermediate Similarity 0.7838 NPC218575
Intermediate Similarity 0.7836 NPC105513
Intermediate Similarity 0.7829 NPC266753
Intermediate Similarity 0.7829 NPC4304
Intermediate Similarity 0.7829 NPC249274
Intermediate Similarity 0.7829 NPC232924
Intermediate Similarity 0.7829 NPC306902
Intermediate Similarity 0.7829 NPC165797
Intermediate Similarity 0.7829 NPC160298
Intermediate Similarity 0.7829 NPC205167
Intermediate Similarity 0.7829 NPC477559
Intermediate Similarity 0.7823 NPC211296
Intermediate Similarity 0.7815 NPC476572
Intermediate Similarity 0.78 NPC93593
Intermediate Similarity 0.78 NPC244112
Intermediate Similarity 0.7785 NPC37272
Intermediate Similarity 0.7785 NPC26601
Intermediate Similarity 0.7785 NPC476580
Intermediate Similarity 0.7785 NPC470924
Intermediate Similarity 0.7785 NPC223124
Intermediate Similarity 0.7771 NPC476331
Intermediate Similarity 0.777 NPC325568
Intermediate Similarity 0.7763 NPC59028
Intermediate Similarity 0.7763 NPC216816
Intermediate Similarity 0.7763 NPC92191
Intermediate Similarity 0.7762 NPC470925
Intermediate Similarity 0.7761 NPC13020
Intermediate Similarity 0.7761 NPC140359
Intermediate Similarity 0.7755 NPC59907
Intermediate Similarity 0.7755 NPC37144
Intermediate Similarity 0.7748 NPC203784
Intermediate Similarity 0.7748 NPC186063
Intermediate Similarity 0.7748 NPC126519
Intermediate Similarity 0.7748 NPC170503
Intermediate Similarity 0.7733 NPC477564
Intermediate Similarity 0.7733 NPC2295
Intermediate Similarity 0.7727 NPC218614
Intermediate Similarity 0.7727 NPC321133
Intermediate Similarity 0.7724 NPC292792
Intermediate Similarity 0.7717 NPC21890
Intermediate Similarity 0.7712 NPC475780
Intermediate Similarity 0.7712 NPC97072
Intermediate Similarity 0.7712 NPC215829
Intermediate Similarity 0.7712 NPC226428
Intermediate Similarity 0.7712 NPC27410
Intermediate Similarity 0.7712 NPC166014
Intermediate Similarity 0.7703 NPC44869
Intermediate Similarity 0.7698 NPC93882
Intermediate Similarity 0.7698 NPC214869
Intermediate Similarity 0.7698 NPC130595
Intermediate Similarity 0.7682 NPC76079
Intermediate Similarity 0.7677 NPC16805
Intermediate Similarity 0.7677 NPC225774
Intermediate Similarity 0.7677 NPC238530
Intermediate Similarity 0.7677 NPC276944
Intermediate Similarity 0.7677 NPC180306
Intermediate Similarity 0.7677 NPC302527
Intermediate Similarity 0.7677 NPC167546
Intermediate Similarity 0.7677 NPC232514
Intermediate Similarity 0.7676 NPC252107
Intermediate Similarity 0.7647 NPC106786
Intermediate Similarity 0.7643 NPC313737
Intermediate Similarity 0.7643 NPC285078
Intermediate Similarity 0.7643 NPC6854
Intermediate Similarity 0.7632 NPC57512
Intermediate Similarity 0.7628 NPC476432
Intermediate Similarity 0.7628 NPC24264
Intermediate Similarity 0.7628 NPC124657
Intermediate Similarity 0.7628 NPC219341
Intermediate Similarity 0.7626 NPC114102
Intermediate Similarity 0.7622 NPC231572
Intermediate Similarity 0.7613 NPC59567
Intermediate Similarity 0.7613 NPC233650
Intermediate Similarity 0.7613 NPC476569
Intermediate Similarity 0.7613 NPC320104
Intermediate Similarity 0.7613 NPC324144

Drug Structure

External Identifiers

TTD   DCL001028
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   119195
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  277.20
ALogP  -0.4662
MLogP  3
XLogP  3.244
HDA  1
HBD  0
Rotatable Bonds  11
TPSA  21.7
RO5 Violation  0