Drug Information

Drug ID:  NPD2616
Drug Name:  Clamoxyquin
Molecular Formula:  C17H24ClN3O
Canonical SMILES:  CCN(CCCNCc1cc(Cl)c2c(c1O)nccc2)CC
Standard InCHI:  InChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3
Standard InCHIKey:  HOFHLRCDGWSLHX-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2616

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
Intermediate Similarity 0.8 NPC473764
Intermediate Similarity 0.8 NPC314940
Intermediate Similarity 0.7762 NPC477111
Intermediate Similarity 0.7751 NPC477113
Intermediate Similarity 0.7718 NPC476167
Intermediate Similarity 0.768 NPC252590
Intermediate Similarity 0.767 NPC192315
Intermediate Similarity 0.7525 NPC171171
Intermediate Similarity 0.7512 NPC477110
Intermediate Similarity 0.743 NPC18348
Intermediate Similarity 0.7426 NPC204717
Intermediate Similarity 0.7389 NPC314002
Intermediate Similarity 0.7376 NPC220765
Intermediate Similarity 0.7371 NPC124542
Intermediate Similarity 0.7371 NPC59779
Intermediate Similarity 0.7371 NPC471177
Intermediate Similarity 0.7343 NPC99666
Intermediate Similarity 0.7296 NPC471178
Intermediate Similarity 0.729 NPC475070
Intermediate Similarity 0.7264 NPC184964
Intermediate Similarity 0.7204 NPC77555
Intermediate Similarity 0.7202 NPC5145
Intermediate Similarity 0.72 NPC313791
Intermediate Similarity 0.7196 NPC470678
Intermediate Similarity 0.7177 NPC324149
Intermediate Similarity 0.7165 NPC476464
Intermediate Similarity 0.7163 NPC475774
Intermediate Similarity 0.715 NPC46580
Intermediate Similarity 0.7143 NPC42979
Intermediate Similarity 0.7136 NPC44161
Intermediate Similarity 0.713 NPC470500
Intermediate Similarity 0.7129 NPC224764
Intermediate Similarity 0.7117 NPC8022
Intermediate Similarity 0.7117 NPC470799
Intermediate Similarity 0.7115 NPC32771
Intermediate Similarity 0.7087 NPC156059
Intermediate Similarity 0.7083 NPC476138
Intermediate Similarity 0.7083 NPC245816
Intermediate Similarity 0.7075 NPC242209
Intermediate Similarity 0.7056 NPC131718
Intermediate Similarity 0.7044 NPC150048
Intermediate Similarity 0.7044 NPC203754
Intermediate Similarity 0.7042 NPC156704
Intermediate Similarity 0.704 NPC476161
Intermediate Similarity 0.7039 NPC48938
Intermediate Similarity 0.7033 NPC128751
Intermediate Similarity 0.7024 NPC478032
Intermediate Similarity 0.7023 NPC315957
Intermediate Similarity 0.7013 NPC476451
Intermediate Similarity 0.701 NPC96890
Intermediate Similarity 0.7 NPC106833
Intermediate Similarity 0.7 NPC469497
Remote Similarity 0.6987 NPC103687
Remote Similarity 0.6987 NPC132631
Remote Similarity 0.6981 NPC106937
Remote Similarity 0.6981 NPC307963
Remote Similarity 0.6978 NPC173080
Remote Similarity 0.6977 NPC476175
Remote Similarity 0.6972 NPC329708
Remote Similarity 0.6972 NPC264166
Remote Similarity 0.6972 NPC274291
Remote Similarity 0.6972 NPC165349
Remote Similarity 0.6972 NPC47059
Remote Similarity 0.6972 NPC118832
Remote Similarity 0.6967 NPC92111
Remote Similarity 0.6964 NPC142901
Remote Similarity 0.6946 NPC259545
Remote Similarity 0.6944 NPC315491
Remote Similarity 0.6944 NPC45459
Remote Similarity 0.6944 NPC19872
Remote Similarity 0.694 NPC477112
Remote Similarity 0.6938 NPC314573
Remote Similarity 0.6933 NPC469727
Remote Similarity 0.6919 NPC76748
Remote Similarity 0.6919 NPC95783
Remote Similarity 0.6906 NPC26679
Remote Similarity 0.6903 NPC477609
Remote Similarity 0.69 NPC167908
Remote Similarity 0.69 NPC118511
Remote Similarity 0.69 NPC102423
Remote Similarity 0.6893 NPC232340
Remote Similarity 0.689 NPC42591
Remote Similarity 0.6884 NPC324203
Remote Similarity 0.6884 NPC63338
Remote Similarity 0.6884 NPC322976
Remote Similarity 0.6878 NPC477861
Remote Similarity 0.6875 NPC133306
Remote Similarity 0.6875 NPC162530
Remote Similarity 0.6872 NPC246700
Remote Similarity 0.6872 NPC296527
Remote Similarity 0.6869 NPC326634
Remote Similarity 0.6866 NPC249040
Remote Similarity 0.6861 NPC208284
Remote Similarity 0.6858 NPC304926
Remote Similarity 0.6858 NPC476041
Remote Similarity 0.6853 NPC477607
Remote Similarity 0.6847 NPC185782
Remote Similarity 0.684 NPC3715
Remote Similarity 0.6837 NPC251090
Remote Similarity 0.6837 NPC472193
Remote Similarity 0.6822 NPC329541
Remote Similarity 0.6816 NPC309845
Remote Similarity 0.6816 NPC97367
Remote Similarity 0.6816 NPC473057
Remote Similarity 0.6812 NPC72980
Remote Similarity 0.6802 NPC259644
Remote Similarity 0.6802 NPC469763
Remote Similarity 0.6802 NPC469765
Remote Similarity 0.6802 NPC25008
Remote Similarity 0.6802 NPC469760
Remote Similarity 0.6802 NPC469786
Remote Similarity 0.6802 NPC73952
Remote Similarity 0.68 NPC477610
Remote Similarity 0.68 NPC266931
Remote Similarity 0.68 NPC478074
Remote Similarity 0.68 NPC476287
Remote Similarity 0.6795 NPC300114
Remote Similarity 0.6793 NPC177056
Remote Similarity 0.6789 NPC213308
Remote Similarity 0.6777 NPC471891
Remote Similarity 0.6768 NPC212376
Remote Similarity 0.6768 NPC211572
Remote Similarity 0.6768 NPC80597
Remote Similarity 0.6768 NPC70922
Remote Similarity 0.6768 NPC75540
Remote Similarity 0.6767 NPC214980
Remote Similarity 0.6766 NPC315214
Remote Similarity 0.6766 NPC47298
Remote Similarity 0.6763 NPC208522
Remote Similarity 0.6762 NPC55038
Remote Similarity 0.6762 NPC190007
Remote Similarity 0.6762 NPC284678
Remote Similarity 0.6759 NPC222018
Remote Similarity 0.675 NPC473312
Remote Similarity 0.6749 NPC49954
Remote Similarity 0.6749 NPC474561
Remote Similarity 0.6738 NPC6215
Remote Similarity 0.6738 NPC473185
Remote Similarity 0.6737 NPC471312
Remote Similarity 0.6733 NPC32028
Remote Similarity 0.6733 NPC311276
Remote Similarity 0.6733 NPC159319
Remote Similarity 0.6731 NPC149402
Remote Similarity 0.673 NPC94943
Remote Similarity 0.6728 NPC267928
Remote Similarity 0.6728 NPC153042
Remote Similarity 0.6728 NPC474188
Remote Similarity 0.6728 NPC90229
Remote Similarity 0.6727 NPC211813
Remote Similarity 0.6726 NPC476157
Remote Similarity 0.6726 NPC61637
Remote Similarity 0.6716 NPC25899
Remote Similarity 0.6714 NPC230805
Remote Similarity 0.6712 NPC176538
Remote Similarity 0.6709 NPC477608
Remote Similarity 0.6701 NPC105818
Remote Similarity 0.6701 NPC24678
Remote Similarity 0.6699 NPC471294
Remote Similarity 0.6699 NPC474409
Remote Similarity 0.6697 NPC476098
Remote Similarity 0.6697 NPC200836
Remote Similarity 0.6696 NPC476116
Remote Similarity 0.6684 NPC60553
Remote Similarity 0.6683 NPC63562
Remote Similarity 0.6683 NPC256828
Remote Similarity 0.6683 NPC282231
Remote Similarity 0.6682 NPC13880
Remote Similarity 0.6682 NPC144381
Remote Similarity 0.6681 NPC112206
Remote Similarity 0.6681 NPC316981
Remote Similarity 0.6681 NPC202605
Remote Similarity 0.6667 NPC160105
Remote Similarity 0.6667 NPC470502
Remote Similarity 0.6667 NPC230403
Remote Similarity 0.6667 NPC285558
Remote Similarity 0.6667 NPC11464
Remote Similarity 0.6653 NPC184225
Remote Similarity 0.6651 NPC215795
Remote Similarity 0.6651 NPC88363
Remote Similarity 0.6651 NPC176199
Remote Similarity 0.6651 NPC476319
Remote Similarity 0.665 NPC469785
Remote Similarity 0.665 NPC141353
Remote Similarity 0.665 NPC158129
Remote Similarity 0.6638 NPC314552
Remote Similarity 0.6638 NPC470501
Remote Similarity 0.6637 NPC476124
Remote Similarity 0.6637 NPC476121
Remote Similarity 0.6635 NPC212535
Remote Similarity 0.6634 NPC63751
Remote Similarity 0.6634 NPC279918
Remote Similarity 0.6624 NPC469554
Remote Similarity 0.6624 NPC319232
Remote Similarity 0.6624 NPC24370
Remote Similarity 0.6624 NPC101543
Remote Similarity 0.6624 NPC60006
Remote Similarity 0.6624 NPC49547
Remote Similarity 0.6623 NPC132642
Remote Similarity 0.6622 NPC53144
Remote Similarity 0.6621 NPC212213

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  321.16
ALogP  0.329
MLogP  2.78
XLogP  2.739
HDA  3
HBD  2
Rotatable Bonds  12
TPSA  48.39
RO5 Violation  0