Drug Information

Drug ID:  NPD4109
Drug Name:  
Molecular Formula:  C20H25NO4
Canonical SMILES:  N#CC1(CCC(CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC
Standard InCHI:  InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
Standard InCHIKey:  CFBUZOUXXHZCFB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4109

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 0.854 NPC223807
High Similarity 0.8511 NPC68779
High Similarity 0.8511 NPC5310
High Similarity 0.8511 NPC300776
High Similarity 0.8511 NPC176814
High Similarity 0.8511 NPC4982
Intermediate Similarity 0.8417 NPC241354
Intermediate Similarity 0.8288 NPC100675
Intermediate Similarity 0.8288 NPC29599
Intermediate Similarity 0.8264 NPC90431
Intermediate Similarity 0.8261 NPC280767
Intermediate Similarity 0.8252 NPC37065
Intermediate Similarity 0.8214 NPC226661
Intermediate Similarity 0.8209 NPC205502
Intermediate Similarity 0.8194 NPC113295
Intermediate Similarity 0.8182 NPC205915
Intermediate Similarity 0.8163 NPC282291
Intermediate Similarity 0.8163 NPC166137
Intermediate Similarity 0.8117 NPC205392
Intermediate Similarity 0.8117 NPC105942
Intermediate Similarity 0.8116 NPC244876
Intermediate Similarity 0.8116 NPC470887
Intermediate Similarity 0.8108 NPC253722
Intermediate Similarity 0.8108 NPC253481
Intermediate Similarity 0.8108 NPC31751
Intermediate Similarity 0.8082 NPC281780
Intermediate Similarity 0.8074 NPC159916
Intermediate Similarity 0.8069 NPC252343
Intermediate Similarity 0.8069 NPC211386
Intermediate Similarity 0.8067 NPC223185
Intermediate Similarity 0.8054 NPC273657
Intermediate Similarity 0.8054 NPC106920
Intermediate Similarity 0.8039 NPC158635
Intermediate Similarity 0.8039 NPC229882
Intermediate Similarity 0.8 NPC3221
Intermediate Similarity 0.8 NPC257589
Intermediate Similarity 0.8 NPC19890
Intermediate Similarity 0.8 NPC67247
Intermediate Similarity 0.8 NPC110958
Intermediate Similarity 0.8 NPC53305
Intermediate Similarity 0.7987 NPC118033
Intermediate Similarity 0.7987 NPC52664
Intermediate Similarity 0.7987 NPC178048
Intermediate Similarity 0.7986 NPC279379
Intermediate Similarity 0.7973 NPC147379
Intermediate Similarity 0.7972 NPC123196
Intermediate Similarity 0.7972 NPC311419
Intermediate Similarity 0.7972 NPC65935
Intermediate Similarity 0.7972 NPC319282
Intermediate Similarity 0.7972 NPC275724
Intermediate Similarity 0.7972 NPC244246
Intermediate Similarity 0.7972 NPC137427
Intermediate Similarity 0.7972 NPC215941
Intermediate Similarity 0.7971 NPC194416
Intermediate Similarity 0.7971 NPC177291
Intermediate Similarity 0.7959 NPC52968
Intermediate Similarity 0.7959 NPC231719
Intermediate Similarity 0.7947 NPC271607
Intermediate Similarity 0.7947 NPC19862
Intermediate Similarity 0.7947 NPC235195
Intermediate Similarity 0.7947 NPC280717
Intermediate Similarity 0.7945 NPC470990
Intermediate Similarity 0.7945 NPC44245
Intermediate Similarity 0.7945 NPC72796
Intermediate Similarity 0.7943 NPC92207
Intermediate Similarity 0.7943 NPC127937
Intermediate Similarity 0.7941 NPC474040
Intermediate Similarity 0.7935 NPC473773
Intermediate Similarity 0.7935 NPC475579
Intermediate Similarity 0.7933 NPC477696
Intermediate Similarity 0.7933 NPC477697
Intermediate Similarity 0.7933 NPC470811
Intermediate Similarity 0.7931 NPC475468
Intermediate Similarity 0.7919 NPC323601
Intermediate Similarity 0.7905 NPC76032
Intermediate Similarity 0.7905 NPC132723
Intermediate Similarity 0.7895 NPC3982
Intermediate Similarity 0.7891 NPC471988
Intermediate Similarity 0.7887 NPC293641
Intermediate Similarity 0.7887 NPC12022
Intermediate Similarity 0.7887 NPC20404
Intermediate Similarity 0.7887 NPC20287
Intermediate Similarity 0.7885 NPC115466
Intermediate Similarity 0.7885 NPC245615
Intermediate Similarity 0.7885 NPC473236
Intermediate Similarity 0.7885 NPC61604
Intermediate Similarity 0.7885 NPC299706
Intermediate Similarity 0.7881 NPC471876
Intermediate Similarity 0.7881 NPC473090
Intermediate Similarity 0.7877 NPC471110
Intermediate Similarity 0.7871 NPC475454
Intermediate Similarity 0.7871 NPC473579
Intermediate Similarity 0.7871 NPC473680
Intermediate Similarity 0.7871 NPC475311
Intermediate Similarity 0.7867 NPC131971
Intermediate Similarity 0.7867 NPC46180
Intermediate Similarity 0.7857 NPC31344
Intermediate Similarity 0.7857 NPC163083
Intermediate Similarity 0.7857 NPC317769
Intermediate Similarity 0.7852 NPC289690
Intermediate Similarity 0.7852 NPC51345
Intermediate Similarity 0.7852 NPC288452
Intermediate Similarity 0.7847 NPC475102
Intermediate Similarity 0.7843 NPC476336
Intermediate Similarity 0.7842 NPC201777
Intermediate Similarity 0.7832 NPC278308
Intermediate Similarity 0.7817 NPC206882
Intermediate Similarity 0.7817 NPC303680
Intermediate Similarity 0.7817 NPC213552
Intermediate Similarity 0.7817 NPC120225
Intermediate Similarity 0.7817 NPC90128
Intermediate Similarity 0.7817 NPC84076
Intermediate Similarity 0.7812 NPC470637
Intermediate Similarity 0.781 NPC474214
Intermediate Similarity 0.78 NPC246474
Intermediate Similarity 0.78 NPC162851
Intermediate Similarity 0.78 NPC218092
Intermediate Similarity 0.7793 NPC469480
Intermediate Similarity 0.7792 NPC96930
Intermediate Similarity 0.7792 NPC236166
Intermediate Similarity 0.7792 NPC32017
Intermediate Similarity 0.7786 NPC71090
Intermediate Similarity 0.7785 NPC186316
Intermediate Similarity 0.7785 NPC265335
Intermediate Similarity 0.7785 NPC284409
Intermediate Similarity 0.7778 NPC304622
Intermediate Similarity 0.7778 NPC476748
Intermediate Similarity 0.777 NPC230968
Intermediate Similarity 0.777 NPC267064
Intermediate Similarity 0.777 NPC102260
Intermediate Similarity 0.7763 NPC469615
Intermediate Similarity 0.7763 NPC304956
Intermediate Similarity 0.7763 NPC160378
Intermediate Similarity 0.7762 NPC123228
Intermediate Similarity 0.7762 NPC151167
Intermediate Similarity 0.7762 NPC276466
Intermediate Similarity 0.7762 NPC5018
Intermediate Similarity 0.7762 NPC123722
Intermediate Similarity 0.7754 NPC234956
Intermediate Similarity 0.7754 NPC474320
Intermediate Similarity 0.7754 NPC37858
Intermediate Similarity 0.7748 NPC176586
Intermediate Similarity 0.7748 NPC210354
Intermediate Similarity 0.7746 NPC289459
Intermediate Similarity 0.7746 NPC173608
Intermediate Similarity 0.7742 NPC125570
Intermediate Similarity 0.7742 NPC216223
Intermediate Similarity 0.7742 NPC298647
Intermediate Similarity 0.7742 NPC145569
Intermediate Similarity 0.7742 NPC273358
Intermediate Similarity 0.7742 NPC292206
Intermediate Similarity 0.7742 NPC471852
Intermediate Similarity 0.774 NPC239302
Intermediate Similarity 0.774 NPC230219
Intermediate Similarity 0.7736 NPC478055
Intermediate Similarity 0.7736 NPC163635
Intermediate Similarity 0.773 NPC21238
Intermediate Similarity 0.7724 NPC477705
Intermediate Similarity 0.7724 NPC195292
Intermediate Similarity 0.7724 NPC142985
Intermediate Similarity 0.7724 NPC477694
Intermediate Similarity 0.7718 NPC471152
Intermediate Similarity 0.7714 NPC216929
Intermediate Similarity 0.7714 NPC172676
Intermediate Similarity 0.7714 NPC126935
Intermediate Similarity 0.7714 NPC312713
Intermediate Similarity 0.7714 NPC57268
Intermediate Similarity 0.7714 NPC127389
Intermediate Similarity 0.7714 NPC290451
Intermediate Similarity 0.7714 NPC65933
Intermediate Similarity 0.7712 NPC53884
Intermediate Similarity 0.7712 NPC163898
Intermediate Similarity 0.7712 NPC469683
Intermediate Similarity 0.7712 NPC258671
Intermediate Similarity 0.7712 NPC307205
Intermediate Similarity 0.7708 NPC184733
Intermediate Similarity 0.7708 NPC210674
Intermediate Similarity 0.7708 NPC470084
Intermediate Similarity 0.7708 NPC129570
Intermediate Similarity 0.7708 NPC21867
Intermediate Similarity 0.7708 NPC45774
Intermediate Similarity 0.7708 NPC282703
Intermediate Similarity 0.7708 NPC128208
Intermediate Similarity 0.7708 NPC11258
Intermediate Similarity 0.7707 NPC56184
Intermediate Similarity 0.7707 NPC476434
Intermediate Similarity 0.7707 NPC267091
Intermediate Similarity 0.7704 NPC303522
Intermediate Similarity 0.7704 NPC165106
Intermediate Similarity 0.7704 NPC109241
Intermediate Similarity 0.7698 NPC227217
Intermediate Similarity 0.7698 NPC117780
Intermediate Similarity 0.7698 NPC95614
Intermediate Similarity 0.7698 NPC165133
Intermediate Similarity 0.7698 NPC56214
Intermediate Similarity 0.7698 NPC242885
Intermediate Similarity 0.7698 NPC232316
Intermediate Similarity 0.7692 NPC12854
Intermediate Similarity 0.7692 NPC470618
Intermediate Similarity 0.7692 NPC145527

Drug Structure

External Identifiers

TTD   DCL000752
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   151170
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  343.18
ALogP  -1.4919
MLogP  3.11
XLogP  2.787
HDA  3
HBD  1
Rotatable Bonds  7
TPSA  79.55
RO5 Violation  0