Drug Information

Drug ID:  NPD1166
Drug Name:  
Molecular Formula:  C13H8N2O3
Canonical SMILES:  O=N(=O)c1ccc(cc1)c1nc2c(o1)cccc2
Standard InCHI:  InChI=1S/C13H8N2O3/c16-15(17)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)18-13/h1-8H
Standard InCHIKey:  KLOXEYMSPNBMHD-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1166

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 0.7847 NPC187501
Intermediate Similarity 0.7793 NPC131885
Intermediate Similarity 0.7778 NPC314633
Intermediate Similarity 0.7773 NPC39500
Intermediate Similarity 0.7772 NPC286195
Intermediate Similarity 0.7678 NPC146418
Intermediate Similarity 0.763 NPC269367
Intermediate Similarity 0.7628 NPC184408
Intermediate Similarity 0.7593 NPC288987
Intermediate Similarity 0.7593 NPC208084
Intermediate Similarity 0.7559 NPC38237
Intermediate Similarity 0.7558 NPC225279
Intermediate Similarity 0.7534 NPC205372
Intermediate Similarity 0.7511 NPC140296
Intermediate Similarity 0.7489 NPC144452
Intermediate Similarity 0.7488 NPC16066
Intermediate Similarity 0.7455 NPC102593
Intermediate Similarity 0.7455 NPC196718
Intermediate Similarity 0.7446 NPC161801
Intermediate Similarity 0.7434 NPC470017
Intermediate Similarity 0.7415 NPC230403
Intermediate Similarity 0.7406 NPC321428
Intermediate Similarity 0.7358 NPC45190
Intermediate Similarity 0.7358 NPC300156
Intermediate Similarity 0.7352 NPC298436
Intermediate Similarity 0.7342 NPC179287
Intermediate Similarity 0.7333 NPC474688
Intermediate Similarity 0.7327 NPC118228
Intermediate Similarity 0.7325 NPC477589
Intermediate Similarity 0.7325 NPC477587
Intermediate Similarity 0.7324 NPC249583
Intermediate Similarity 0.7324 NPC4687
Intermediate Similarity 0.7321 NPC274640
Intermediate Similarity 0.7315 NPC474428
Intermediate Similarity 0.7301 NPC473186
Intermediate Similarity 0.7282 NPC469961
Intermediate Similarity 0.7261 NPC477586
Intermediate Similarity 0.7261 NPC477588
Intermediate Similarity 0.7261 NPC477585
Intermediate Similarity 0.7261 NPC477590
Intermediate Similarity 0.7249 NPC470022
Intermediate Similarity 0.7243 NPC283117
Intermediate Similarity 0.7237 NPC34770
Intermediate Similarity 0.7237 NPC39370
Intermediate Similarity 0.722 NPC242928
Intermediate Similarity 0.7189 NPC87413
Intermediate Similarity 0.7188 NPC97746
Intermediate Similarity 0.7163 NPC475190
Intermediate Similarity 0.7162 NPC323969
Intermediate Similarity 0.7156 NPC310211
Intermediate Similarity 0.7156 NPC220408
Intermediate Similarity 0.7156 NPC308137
Intermediate Similarity 0.7137 NPC185197
Intermediate Similarity 0.713 NPC198503
Intermediate Similarity 0.713 NPC280799
Intermediate Similarity 0.7118 NPC329631
Intermediate Similarity 0.711 NPC294375
Intermediate Similarity 0.7106 NPC72715
Intermediate Similarity 0.7098 NPC216612
Intermediate Similarity 0.7093 NPC194740
Intermediate Similarity 0.7092 NPC118511
Intermediate Similarity 0.7091 NPC116238
Intermediate Similarity 0.7089 NPC165964
Intermediate Similarity 0.7082 NPC475844
Intermediate Similarity 0.708 NPC470018
Intermediate Similarity 0.7067 NPC51388
Intermediate Similarity 0.7051 NPC166712
Intermediate Similarity 0.7045 NPC324361
Intermediate Similarity 0.7027 NPC169402
Intermediate Similarity 0.7021 NPC208364
Intermediate Similarity 0.7021 NPC160100
Intermediate Similarity 0.7019 NPC144381
Intermediate Similarity 0.701 NPC474798
Remote Similarity 0.6996 NPC46561
Remote Similarity 0.6996 NPC247803
Remote Similarity 0.6995 NPC128823
Remote Similarity 0.6991 NPC132539
Remote Similarity 0.699 NPC241025
Remote Similarity 0.6972 NPC39679
Remote Similarity 0.6962 NPC58209
Remote Similarity 0.6959 NPC472287
Remote Similarity 0.6959 NPC472286
Remote Similarity 0.6957 NPC160381
Remote Similarity 0.6957 NPC474701
Remote Similarity 0.6957 NPC217176
Remote Similarity 0.6951 NPC293151
Remote Similarity 0.6939 NPC230683
Remote Similarity 0.6933 NPC150239
Remote Similarity 0.6933 NPC174760
Remote Similarity 0.6927 NPC288305
Remote Similarity 0.692 NPC174576
Remote Similarity 0.6914 NPC258048
Remote Similarity 0.6907 NPC72905
Remote Similarity 0.6904 NPC173250
Remote Similarity 0.69 NPC74575
Remote Similarity 0.69 NPC257851
Remote Similarity 0.6898 NPC295898
Remote Similarity 0.6895 NPC287208
Remote Similarity 0.6892 NPC232225
Remote Similarity 0.688 NPC240384
Remote Similarity 0.6878 NPC142385
Remote Similarity 0.6875 NPC203373
Remote Similarity 0.6875 NPC223189
Remote Similarity 0.6853 NPC49547
Remote Similarity 0.6852 NPC470586
Remote Similarity 0.6849 NPC270918
Remote Similarity 0.6845 NPC118776
Remote Similarity 0.6835 NPC470930
Remote Similarity 0.6827 NPC42591
Remote Similarity 0.6822 NPC267928
Remote Similarity 0.6816 NPC476287
Remote Similarity 0.6816 NPC250448
Remote Similarity 0.6816 NPC470894
Remote Similarity 0.681 NPC221873
Remote Similarity 0.681 NPC260434
Remote Similarity 0.6809 NPC472061
Remote Similarity 0.6803 NPC53534
Remote Similarity 0.6802 NPC209981
Remote Similarity 0.6802 NPC220337
Remote Similarity 0.6794 NPC194040
Remote Similarity 0.6793 NPC148889
Remote Similarity 0.6791 NPC472284
Remote Similarity 0.6786 NPC50562
Remote Similarity 0.6784 NPC177404
Remote Similarity 0.6777 NPC137353
Remote Similarity 0.677 NPC303658
Remote Similarity 0.6769 NPC322482
Remote Similarity 0.6769 NPC122436
Remote Similarity 0.6762 NPC206186
Remote Similarity 0.6757 NPC470020
Remote Similarity 0.6757 NPC199667
Remote Similarity 0.6756 NPC67658
Remote Similarity 0.6756 NPC3207
Remote Similarity 0.6756 NPC274982
Remote Similarity 0.6753 NPC478078
Remote Similarity 0.6753 NPC157931
Remote Similarity 0.6752 NPC141053
Remote Similarity 0.6751 NPC168922
Remote Similarity 0.6741 NPC236668
Remote Similarity 0.6737 NPC6786
Remote Similarity 0.6735 NPC120513
Remote Similarity 0.6734 NPC322644
Remote Similarity 0.6726 NPC305984
Remote Similarity 0.6724 NPC471762
Remote Similarity 0.6717 NPC26850
Remote Similarity 0.6713 NPC112937
Remote Similarity 0.6712 NPC475774
Remote Similarity 0.6712 NPC473181
Remote Similarity 0.6711 NPC146976
Remote Similarity 0.6711 NPC477979
Remote Similarity 0.6696 NPC264176
Remote Similarity 0.6696 NPC94157
Remote Similarity 0.6696 NPC118940
Remote Similarity 0.6696 NPC94842
Remote Similarity 0.6696 NPC473180
Remote Similarity 0.6695 NPC124300
Remote Similarity 0.6681 NPC322064
Remote Similarity 0.6667 NPC471615
Remote Similarity 0.6667 NPC210828
Remote Similarity 0.6667 NPC168209
Remote Similarity 0.6667 NPC86834
Remote Similarity 0.6667 NPC291609
Remote Similarity 0.6667 NPC89508
Remote Similarity 0.6667 NPC188400
Remote Similarity 0.6667 NPC141454
Remote Similarity 0.6653 NPC253675
Remote Similarity 0.6652 NPC312645
Remote Similarity 0.6652 NPC66777
Remote Similarity 0.6651 NPC110741
Remote Similarity 0.665 NPC26872
Remote Similarity 0.665 NPC1527
Remote Similarity 0.664 NPC152620
Remote Similarity 0.6639 NPC67401
Remote Similarity 0.6637 NPC209769
Remote Similarity 0.6636 NPC476138
Remote Similarity 0.6636 NPC245816
Remote Similarity 0.6636 NPC72211
Remote Similarity 0.662 NPC70259
Remote Similarity 0.662 NPC470023
Remote Similarity 0.6612 NPC310618
Remote Similarity 0.6607 NPC471304
Remote Similarity 0.6602 NPC314222
Remote Similarity 0.6602 NPC303225
Remote Similarity 0.6602 NPC196449
Remote Similarity 0.6597 NPC235685
Remote Similarity 0.6597 NPC15801
Remote Similarity 0.6592 NPC82548
Remote Similarity 0.6587 NPC470042
Remote Similarity 0.6587 NPC472168
Remote Similarity 0.6584 NPC1608
Remote Similarity 0.658 NPC175150
Remote Similarity 0.658 NPC210434
Remote Similarity 0.658 NPC243633
Remote Similarity 0.6578 NPC9894
Remote Similarity 0.6578 NPC23294
Remote Similarity 0.6574 NPC205934
Remote Similarity 0.6574 NPC43787
Remote Similarity 0.657 NPC288943
Remote Similarity 0.657 NPC84347
Remote Similarity 0.657 NPC208522

Drug Structure

External Identifiers

TTD   DCL000943
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   70047
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  240.05
ALogP  0.506
MLogP  2.34
XLogP  4.16
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  69.17
RO5 Violation  0