Drug Information

Drug ID:  NPD408
Drug Name:  Chlorquinaldol
Molecular Formula:  C10H7Cl2NO
Canonical SMILES:  Cc1ccc2c(n1)c(O)c(cc2Cl)Cl
Standard InCHI:  InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
Standard InCHIKey:  GPTXWRGISTZRIO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD408

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 0.7978 NPC314940
Intermediate Similarity 0.7978 NPC473764
Intermediate Similarity 0.7676 NPC478032
Intermediate Similarity 0.7654 NPC118511
Intermediate Similarity 0.7637 NPC252590
Intermediate Similarity 0.7624 NPC44161
Intermediate Similarity 0.7544 NPC60553
Intermediate Similarity 0.7513 NPC42591
Intermediate Similarity 0.7358 NPC144381
Intermediate Similarity 0.7333 NPC230403
Intermediate Similarity 0.715 NPC476167
Intermediate Similarity 0.7128 NPC230805
Intermediate Similarity 0.7113 NPC314573
Intermediate Similarity 0.71 NPC192315
Intermediate Similarity 0.701 NPC156059
Intermediate Similarity 0.7006 NPC470404
Intermediate Similarity 0.7006 NPC470403
Intermediate Similarity 0.7006 NPC470394
Remote Similarity 0.6978 NPC26872
Remote Similarity 0.6927 NPC470395
Remote Similarity 0.6923 NPC153769
Remote Similarity 0.6891 NPC88363
Remote Similarity 0.6875 NPC288943
Remote Similarity 0.6875 NPC477111
Remote Similarity 0.6865 NPC26850
Remote Similarity 0.686 NPC477113
Remote Similarity 0.6851 NPC257142
Remote Similarity 0.6839 NPC283152
Remote Similarity 0.6837 NPC55038
Remote Similarity 0.6818 NPC66083
Remote Similarity 0.6814 NPC128823
Remote Similarity 0.6804 NPC149402
Remote Similarity 0.6796 NPC161292
Remote Similarity 0.6791 NPC322644
Remote Similarity 0.6791 NPC120798
Remote Similarity 0.6784 NPC242928
Remote Similarity 0.6755 NPC79911
Remote Similarity 0.6753 NPC184964
Remote Similarity 0.6739 NPC284348
Remote Similarity 0.6736 NPC312872
Remote Similarity 0.6735 NPC474798
Remote Similarity 0.6718 NPC72980
Remote Similarity 0.6715 NPC66815
Remote Similarity 0.6702 NPC278874
Remote Similarity 0.6684 NPC474409
Remote Similarity 0.6667 NPC47298
Remote Similarity 0.6667 NPC177404
Remote Similarity 0.6667 NPC315214
Remote Similarity 0.6667 NPC283117
Remote Similarity 0.6667 NPC204717
Remote Similarity 0.6667 NPC224632
Remote Similarity 0.6667 NPC62069
Remote Similarity 0.6649 NPC303225
Remote Similarity 0.6633 NPC314002
Remote Similarity 0.6632 NPC476688
Remote Similarity 0.6632 NPC159319
Remote Similarity 0.6632 NPC32028
Remote Similarity 0.6632 NPC476686
Remote Similarity 0.6632 NPC105758
Remote Similarity 0.6631 NPC141353
Remote Similarity 0.6631 NPC477889
Remote Similarity 0.6617 NPC246700
Remote Similarity 0.6617 NPC128751
Remote Similarity 0.6616 NPC212535
Remote Similarity 0.6616 NPC220765
Remote Similarity 0.6616 NPC133306
Remote Similarity 0.6603 NPC475774
Remote Similarity 0.66 NPC171171
Remote Similarity 0.6598 NPC208060
Remote Similarity 0.6596 NPC116573
Remote Similarity 0.6584 NPC106833
Remote Similarity 0.6584 NPC469497
Remote Similarity 0.6584 NPC471593
Remote Similarity 0.6583 NPC190007
Remote Similarity 0.6574 NPC477110
Remote Similarity 0.657 NPC476175
Remote Similarity 0.6566 NPC144114
Remote Similarity 0.6558 NPC140888
Remote Similarity 0.6557 NPC18348
Remote Similarity 0.6556 NPC280853
Remote Similarity 0.6555 NPC470678
Remote Similarity 0.655 NPC94943
Remote Similarity 0.6548 NPC42979
Remote Similarity 0.6546 NPC158129
Remote Similarity 0.6542 NPC294375
Remote Similarity 0.6541 NPC288445
Remote Similarity 0.6531 NPC224764
Remote Similarity 0.6528 NPC118228
Remote Similarity 0.6524 NPC476098
Remote Similarity 0.6524 NPC476138
Remote Similarity 0.6524 NPC245816
Remote Similarity 0.6519 NPC245657
Remote Similarity 0.6519 NPC285016
Remote Similarity 0.65 NPC471596
Remote Similarity 0.65 NPC320394
Remote Similarity 0.6498 NPC8022
Remote Similarity 0.6498 NPC470799
Remote Similarity 0.6497 NPC293472
Remote Similarity 0.6495 NPC164664
Remote Similarity 0.649 NPC280714
Remote Similarity 0.6482 NPC192270
Remote Similarity 0.6482 NPC206201
Remote Similarity 0.648 NPC95898
Remote Similarity 0.6473 NPC90229
Remote Similarity 0.6473 NPC474188
Remote Similarity 0.6468 NPC293151
Remote Similarity 0.6462 NPC304183
Remote Similarity 0.6459 NPC249040
Remote Similarity 0.6456 NPC276517
Remote Similarity 0.6449 NPC209769
Remote Similarity 0.6447 NPC150048
Remote Similarity 0.6447 NPC203754
Remote Similarity 0.6439 NPC99666
Remote Similarity 0.6438 NPC174576
Remote Similarity 0.6436 NPC204385
Remote Similarity 0.6436 NPC194040
Remote Similarity 0.6432 NPC220523
Remote Similarity 0.6429 NPC259545
Remote Similarity 0.6429 NPC471294
Remote Similarity 0.6415 NPC118832
Remote Similarity 0.6415 NPC165349
Remote Similarity 0.6415 NPC329708
Remote Similarity 0.6415 NPC47059
Remote Similarity 0.6415 NPC274291
Remote Similarity 0.6415 NPC264166
Remote Similarity 0.6414 NPC96890
Remote Similarity 0.6413 NPC471598
Remote Similarity 0.641 NPC126481
Remote Similarity 0.6408 NPC329541
Remote Similarity 0.6408 NPC475190
Remote Similarity 0.6406 NPC471177
Remote Similarity 0.6406 NPC124542
Remote Similarity 0.6406 NPC59779
Remote Similarity 0.6402 NPC63562
Remote Similarity 0.64 NPC477891
Remote Similarity 0.64 NPC314394
Remote Similarity 0.6394 NPC153042
Remote Similarity 0.6384 NPC103687
Remote Similarity 0.6384 NPC132631
Remote Similarity 0.6373 NPC110741
Remote Similarity 0.6368 NPC176127
Remote Similarity 0.6368 NPC223427
Remote Similarity 0.6364 NPC134586
Remote Similarity 0.6364 NPC173080
Remote Similarity 0.6364 NPC288785
Remote Similarity 0.6359 NPC324149
Remote Similarity 0.6359 NPC477890
Remote Similarity 0.6355 NPC61350
Remote Similarity 0.6354 NPC25899
Remote Similarity 0.635 NPC478023
Remote Similarity 0.6343 NPC5145
Remote Similarity 0.6341 NPC3715
Remote Similarity 0.634 NPC471178
Remote Similarity 0.6338 NPC470500
Remote Similarity 0.6338 NPC475070
Remote Similarity 0.6335 NPC132680
Remote Similarity 0.6335 NPC269919
Remote Similarity 0.6335 NPC473179
Remote Similarity 0.6332 NPC211997
Remote Similarity 0.6331 NPC148140
Remote Similarity 0.6329 NPC79293
Remote Similarity 0.6329 NPC279401
Remote Similarity 0.6326 NPC61637
Remote Similarity 0.6324 NPC46580
Remote Similarity 0.6321 NPC211813
Remote Similarity 0.6319 NPC471594
Remote Similarity 0.6316 NPC77555
Remote Similarity 0.6316 NPC267928
Remote Similarity 0.6308 NPC475841
Remote Similarity 0.6308 NPC474145
Remote Similarity 0.6307 NPC278451
Remote Similarity 0.63 NPC232340
Remote Similarity 0.6298 NPC326634
Remote Similarity 0.6295 NPC51388
Remote Similarity 0.6294 NPC81561
Remote Similarity 0.629 NPC184408
Remote Similarity 0.6289 NPC473057
Remote Similarity 0.6289 NPC97367
Remote Similarity 0.6287 NPC48938
Remote Similarity 0.6287 NPC471785
Remote Similarity 0.6287 NPC272375
Remote Similarity 0.6286 NPC306376
Remote Similarity 0.6284 NPC203168
Remote Similarity 0.6283 NPC476464
Remote Similarity 0.628 NPC469961
Remote Similarity 0.628 NPC141915
Remote Similarity 0.628 NPC114335
Remote Similarity 0.628 NPC280964
Remote Similarity 0.6279 NPC53344
Remote Similarity 0.6273 NPC142901
Remote Similarity 0.6269 NPC322976
Remote Similarity 0.6269 NPC168486
Remote Similarity 0.6269 NPC222592
Remote Similarity 0.6269 NPC249662
Remote Similarity 0.6269 NPC63338
Remote Similarity 0.6269 NPC324203
Remote Similarity 0.6268 NPC222018
Remote Similarity 0.6267 NPC179287
Remote Similarity 0.6267 NPC166655
Remote Similarity 0.6267 NPC219664

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  226.99
ALogP  1.4678
MLogP  2.12
XLogP  2.543
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  33.12
RO5 Violation  0