Drug Information

Drug ID:  NPD1482
Drug Name:  
Molecular Formula:  C14H9NO4
Canonical SMILES:  OC(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3
Standard InCHI:  InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
Standard InCHIKey:  GCUCIFQCGJIRNT-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1482

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 0.7561 NPC55529
Intermediate Similarity 0.7481 NPC27833
Intermediate Similarity 0.7279 NPC322433
Intermediate Similarity 0.7246 NPC179224
Intermediate Similarity 0.7227 NPC256452
Intermediate Similarity 0.712 NPC473418
Intermediate Similarity 0.712 NPC167336
Intermediate Similarity 0.708 NPC79698
Remote Similarity 0.6984 NPC476198
Remote Similarity 0.6901 NPC473962
Remote Similarity 0.6831 NPC126458
Remote Similarity 0.678 NPC17497
Remote Similarity 0.678 NPC305602
Remote Similarity 0.6755 NPC246412
Remote Similarity 0.6735 NPC238412
Remote Similarity 0.6709 NPC73644
Remote Similarity 0.6667 NPC314192
Remote Similarity 0.6667 NPC45033
Remote Similarity 0.6667 NPC418308
Remote Similarity 0.6643 NPC192533
Remote Similarity 0.664 NPC322598
Remote Similarity 0.6585 NPC71140
Remote Similarity 0.6569 NPC220698
Remote Similarity 0.6557 NPC470926
Remote Similarity 0.6549 NPC136453
Remote Similarity 0.6529 NPC325709
Remote Similarity 0.6506 NPC475427
Remote Similarity 0.6503 NPC152850
Remote Similarity 0.6503 NPC105114
Remote Similarity 0.6503 NPC89923
Remote Similarity 0.6503 NPC71933
Remote Similarity 0.6503 NPC239990
Remote Similarity 0.6484 NPC239854
Remote Similarity 0.6479 NPC470343
Remote Similarity 0.6479 NPC472244
Remote Similarity 0.6475 NPC277277
Remote Similarity 0.6475 NPC19256
Remote Similarity 0.6462 NPC67043
Remote Similarity 0.6458 NPC473322
Remote Similarity 0.6452 NPC289883
Remote Similarity 0.6446 NPC267262
Remote Similarity 0.6441 NPC104070
Remote Similarity 0.6439 NPC318327
Remote Similarity 0.6423 NPC239357
Remote Similarity 0.6423 NPC103346
Remote Similarity 0.6408 NPC285394
Remote Similarity 0.6406 NPC472879
Remote Similarity 0.6403 NPC226143
Remote Similarity 0.64 NPC472880
Remote Similarity 0.64 NPC172925
Remote Similarity 0.6391 NPC158854
Remote Similarity 0.6378 NPC49994
Remote Similarity 0.6377 NPC470545
Remote Similarity 0.637 NPC120251
Remote Similarity 0.637 NPC157311
Remote Similarity 0.6357 NPC302169
Remote Similarity 0.6353 NPC73555
Remote Similarity 0.6351 NPC474473
Remote Similarity 0.6351 NPC266425
Remote Similarity 0.6336 NPC134120
Remote Similarity 0.6331 NPC470546
Remote Similarity 0.6327 NPC8761
Remote Similarity 0.6327 NPC44805
Remote Similarity 0.6316 NPC161069
Remote Similarity 0.6312 NPC257490
Remote Similarity 0.6308 NPC255676
Remote Similarity 0.6308 NPC329556
Remote Similarity 0.6304 NPC158157
Remote Similarity 0.6304 NPC285926
Remote Similarity 0.6304 NPC14672
Remote Similarity 0.6304 NPC315276
Remote Similarity 0.6304 NPC470544
Remote Similarity 0.6301 NPC194562
Remote Similarity 0.6296 NPC79496
Remote Similarity 0.6296 NPC66208
Remote Similarity 0.6296 NPC181390
Remote Similarity 0.6277 NPC33742
Remote Similarity 0.627 NPC329430
Remote Similarity 0.6268 NPC268534
Remote Similarity 0.626 NPC113307
Remote Similarity 0.626 NPC329282
Remote Similarity 0.625 NPC93287
Remote Similarity 0.624 NPC473661
Remote Similarity 0.6233 NPC469666
Remote Similarity 0.6233 NPC165726
Remote Similarity 0.6233 NPC111428
Remote Similarity 0.6233 NPC213969
Remote Similarity 0.6232 NPC473573
Remote Similarity 0.6231 NPC329375
Remote Similarity 0.6225 NPC132636
Remote Similarity 0.6225 NPC122553
Remote Similarity 0.622 NPC189116
Remote Similarity 0.6218 NPC478039
Remote Similarity 0.6216 NPC257390
Remote Similarity 0.621 NPC173413
Remote Similarity 0.6209 NPC470301
Remote Similarity 0.6209 NPC43477
Remote Similarity 0.6207 NPC119326
Remote Similarity 0.6204 NPC471721
Remote Similarity 0.6204 NPC35850
Remote Similarity 0.6204 NPC276949
Remote Similarity 0.6202 NPC12730
Remote Similarity 0.62 NPC473360
Remote Similarity 0.6197 NPC71684
Remote Similarity 0.619 NPC291070
Remote Similarity 0.619 NPC246757
Remote Similarity 0.6181 NPC22746
Remote Similarity 0.6181 NPC222466
Remote Similarity 0.6179 NPC157778
Remote Similarity 0.6172 NPC239185
Remote Similarity 0.6172 NPC122493
Remote Similarity 0.6172 NPC10781
Remote Similarity 0.6172 NPC293628
Remote Similarity 0.6167 NPC273758
Remote Similarity 0.616 NPC133461
Remote Similarity 0.6159 NPC246904
Remote Similarity 0.6154 NPC109514
Remote Similarity 0.6154 NPC313850
Remote Similarity 0.6154 NPC470548
Remote Similarity 0.6154 NPC138775
Remote Similarity 0.6149 NPC255447
Remote Similarity 0.6148 NPC160339
Remote Similarity 0.6148 NPC258046
Remote Similarity 0.6148 NPC307
Remote Similarity 0.6143 NPC228318
Remote Similarity 0.6142 NPC260233
Remote Similarity 0.6138 NPC101719
Remote Similarity 0.6134 NPC273033
Remote Similarity 0.6134 NPC12936
Remote Similarity 0.6127 NPC200964
Remote Similarity 0.6124 NPC134882
Remote Similarity 0.6121 NPC113056
Remote Similarity 0.6121 NPC138293
Remote Similarity 0.6111 NPC155232
Remote Similarity 0.6111 NPC59677
Remote Similarity 0.6111 NPC153885
Remote Similarity 0.6107 NPC284477
Remote Similarity 0.6103 NPC319579
Remote Similarity 0.6098 NPC43945
Remote Similarity 0.6094 NPC185208
Remote Similarity 0.6094 NPC219573
Remote Similarity 0.609 NPC105899
Remote Similarity 0.609 NPC262077
Remote Similarity 0.609 NPC314186
Remote Similarity 0.6087 NPC57051
Remote Similarity 0.6082 NPC14849
Remote Similarity 0.6081 NPC69496
Remote Similarity 0.6081 NPC200589
Remote Similarity 0.6078 NPC239762
Remote Similarity 0.6078 NPC163392
Remote Similarity 0.6078 NPC469560
Remote Similarity 0.6067 NPC313663
Remote Similarity 0.6063 NPC238219
Remote Similarity 0.6063 NPC474974
Remote Similarity 0.6062 NPC66936
Remote Similarity 0.6061 NPC164859
Remote Similarity 0.6059 NPC248862
Remote Similarity 0.6059 NPC328611
Remote Similarity 0.6058 NPC186128
Remote Similarity 0.6058 NPC280789
Remote Similarity 0.6056 NPC291962
Remote Similarity 0.6056 NPC177684
Remote Similarity 0.6053 NPC43755
Remote Similarity 0.6051 NPC135121
Remote Similarity 0.605 NPC71664
Remote Similarity 0.6048 NPC153308
Remote Similarity 0.6047 NPC324569
Remote Similarity 0.6047 NPC265220
Remote Similarity 0.6047 NPC131450
Remote Similarity 0.6047 NPC147298
Remote Similarity 0.6047 NPC182057
Remote Similarity 0.6042 NPC26285
Remote Similarity 0.6042 NPC84281
Remote Similarity 0.6042 NPC169485
Remote Similarity 0.6042 NPC317474
Remote Similarity 0.6042 NPC213126
Remote Similarity 0.6042 NPC291027
Remote Similarity 0.604 NPC314098
Remote Similarity 0.6039 NPC263493
Remote Similarity 0.6039 NPC207554
Remote Similarity 0.6039 NPC269398
Remote Similarity 0.6033 NPC215008
Remote Similarity 0.6032 NPC284475
Remote Similarity 0.6031 NPC476993
Remote Similarity 0.6027 NPC474847
Remote Similarity 0.6026 NPC477217
Remote Similarity 0.6026 NPC201244
Remote Similarity 0.6026 NPC209509
Remote Similarity 0.6014 NPC161956
Remote Similarity 0.6014 NPC258531
Remote Similarity 0.6014 NPC112373
Remote Similarity 0.6014 NPC150863
Remote Similarity 0.6013 NPC324445
Remote Similarity 0.6 NPC75724
Remote Similarity 0.6 NPC229242
Remote Similarity 0.6 NPC471164
Remote Similarity 0.6 NPC207428
Remote Similarity 0.6 NPC474082
Remote Similarity 0.6 NPC203732
Remote Similarity 0.6 NPC246913

Drug Structure

External Identifiers

TTD   DNC002721
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   2120
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  255.05
ALogP  -1.1999
MLogP  2.45
XLogP  2.621
HDA  5
HBD  1
Rotatable Bonds  3
TPSA  74.68
RO5 Violation  0