Drug Information

Drug ID:  NPD1217
Drug Name:  
Molecular Formula:  C14H11FN2O4
Canonical SMILES:  Cc1ccccc1C(=O)n1c(=O)c(F)cn(c1=O)C(=O)C
Standard InCHI:  InChI=1S/C14H11FN2O4/c1-8-5-3-4-6-10(8)12(19)17-13(20)11(15)7-16(9(2)18)14(17)21/h3-7H,1-2H3
Standard InCHIKey:  DRXHAKVGNKHFMB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1217

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 0.8103 NPC55529
Intermediate Similarity 0.7928 NPC256452
Intermediate Similarity 0.7185 NPC179224
Intermediate Similarity 0.7143 NPC79698
Intermediate Similarity 0.7069 NPC71140
Intermediate Similarity 0.7023 NPC27833
Remote Similarity 0.6957 NPC473962
Remote Similarity 0.6957 NPC207428
Remote Similarity 0.6947 NPC291962
Remote Similarity 0.6947 NPC177684
Remote Similarity 0.6894 NPC112373
Remote Similarity 0.6894 NPC161956
Remote Similarity 0.6894 NPC258531
Remote Similarity 0.6884 NPC126458
Remote Similarity 0.6842 NPC305602
Remote Similarity 0.6842 NPC17497
Remote Similarity 0.6842 NPC257490
Remote Similarity 0.6774 NPC473418
Remote Similarity 0.6774 NPC167336
Remote Similarity 0.672 NPC45033
Remote Similarity 0.6719 NPC181390
Remote Similarity 0.6695 NPC473661
Remote Similarity 0.669 NPC471164
Remote Similarity 0.669 NPC300299
Remote Similarity 0.6689 NPC117032
Remote Similarity 0.6667 NPC469560
Remote Similarity 0.6667 NPC329375
Remote Similarity 0.664 NPC143516
Remote Similarity 0.6637 NPC104070
Remote Similarity 0.6594 NPC322433
Remote Similarity 0.6587 NPC130898
Remote Similarity 0.6587 NPC474804
Remote Similarity 0.6587 NPC474973
Remote Similarity 0.6567 NPC226143
Remote Similarity 0.6565 NPC33742
Remote Similarity 0.6544 NPC39818
Remote Similarity 0.6519 NPC279385
Remote Similarity 0.6519 NPC179605
Remote Similarity 0.6508 NPC476198
Remote Similarity 0.6503 NPC266425
Remote Similarity 0.6503 NPC162417
Remote Similarity 0.6503 NPC316104
Remote Similarity 0.65 NPC246757
Remote Similarity 0.65 NPC291070
Remote Similarity 0.65 NPC322040
Remote Similarity 0.65 NPC474974
Remote Similarity 0.6493 NPC220698
Remote Similarity 0.6489 NPC57051
Remote Similarity 0.6484 NPC473676
Remote Similarity 0.6475 NPC472258
Remote Similarity 0.6471 NPC103292
Remote Similarity 0.6467 NPC324445
Remote Similarity 0.6467 NPC246412
Remote Similarity 0.6449 NPC192533
Remote Similarity 0.6429 NPC275467
Remote Similarity 0.6414 NPC471123
Remote Similarity 0.641 NPC43945
Remote Similarity 0.64 NPC313850
Remote Similarity 0.6395 NPC207554
Remote Similarity 0.6383 NPC313722
Remote Similarity 0.637 NPC122553
Remote Similarity 0.6356 NPC157778
Remote Similarity 0.6348 NPC215008
Remote Similarity 0.6348 NPC39600
Remote Similarity 0.6343 NPC14672
Remote Similarity 0.6343 NPC315276
Remote Similarity 0.6343 NPC285926
Remote Similarity 0.6338 NPC187231
Remote Similarity 0.6336 NPC475013
Remote Similarity 0.6328 NPC473498
Remote Similarity 0.6327 NPC83214
Remote Similarity 0.6283 NPC300205
Remote Similarity 0.6279 NPC172170
Remote Similarity 0.6271 NPC53492
Remote Similarity 0.6269 NPC473573
Remote Similarity 0.6266 NPC154478
Remote Similarity 0.6259 NPC254698
Remote Similarity 0.6258 NPC355
Remote Similarity 0.625 NPC173413
Remote Similarity 0.625 NPC40364
Remote Similarity 0.6242 NPC84317
Remote Similarity 0.6242 NPC2823
Remote Similarity 0.6242 NPC471574
Remote Similarity 0.6241 NPC476048
Remote Similarity 0.6241 NPC276949
Remote Similarity 0.6241 NPC35850
Remote Similarity 0.6228 NPC164086
Remote Similarity 0.6222 NPC239357
Remote Similarity 0.6216 NPC98976
Remote Similarity 0.6207 NPC474088
Remote Similarity 0.6202 NPC471447
Remote Similarity 0.6198 NPC133461
Remote Similarity 0.6198 NPC284475
Remote Similarity 0.6198 NPC470926
Remote Similarity 0.6195 NPC2785
Remote Similarity 0.6195 NPC36342
Remote Similarity 0.6195 NPC285470
Remote Similarity 0.6194 NPC246904
Remote Similarity 0.6194 NPC66936
Remote Similarity 0.6186 NPC160339
Remote Similarity 0.6186 NPC307
Remote Similarity 0.6186 NPC258046
Remote Similarity 0.617 NPC470343
Remote Similarity 0.617 NPC472244
Remote Similarity 0.6161 NPC271642
Remote Similarity 0.616 NPC322598
Remote Similarity 0.6154 NPC150863
Remote Similarity 0.6148 NPC59677
Remote Similarity 0.6148 NPC188844
Remote Similarity 0.6148 NPC1682
Remote Similarity 0.6148 NPC155232
Remote Similarity 0.6148 NPC153885
Remote Similarity 0.6133 NPC301760
Remote Similarity 0.6129 NPC473329
Remote Similarity 0.6118 NPC136002
Remote Similarity 0.6116 NPC277277
Remote Similarity 0.6116 NPC19256
Remote Similarity 0.6111 NPC314431
Remote Similarity 0.6111 NPC472245
Remote Similarity 0.6111 NPC75496
Remote Similarity 0.6111 NPC280807
Remote Similarity 0.6106 NPC245966
Remote Similarity 0.6098 NPC289883
Remote Similarity 0.6098 NPC238219
Remote Similarity 0.6094 NPC202613
Remote Similarity 0.609 NPC275410
Remote Similarity 0.6087 NPC190567
Remote Similarity 0.6087 NPC71664
Remote Similarity 0.6084 NPC470548
Remote Similarity 0.6083 NPC267262
Remote Similarity 0.6083 NPC153308
Remote Similarity 0.6074 NPC113099
Remote Similarity 0.6071 NPC268534
Remote Similarity 0.6069 NPC120251
Remote Similarity 0.6068 NPC273758
Remote Similarity 0.6067 NPC130251
Remote Similarity 0.6067 NPC315051
Remote Similarity 0.6061 NPC158854
Remote Similarity 0.6058 NPC470545
Remote Similarity 0.6049 NPC113056
Remote Similarity 0.6049 NPC138293
Remote Similarity 0.6048 NPC260233
Remote Similarity 0.6043 NPC200964
Remote Similarity 0.6042 NPC103605
Remote Similarity 0.6042 NPC81092
Remote Similarity 0.6042 NPC213969
Remote Similarity 0.6042 NPC209389
Remote Similarity 0.6042 NPC165726
Remote Similarity 0.6034 NPC273033
Remote Similarity 0.6034 NPC145053
Remote Similarity 0.6034 NPC12936
Remote Similarity 0.6033 NPC113307
Remote Similarity 0.6033 NPC418308
Remote Similarity 0.6033 NPC325709
Remote Similarity 0.6028 NPC474082
Remote Similarity 0.6028 NPC175726
Remote Similarity 0.6025 NPC73644
Remote Similarity 0.6014 NPC470546
Remote Similarity 0.6013 NPC119669
Remote Similarity 0.6012 NPC14849
Remote Similarity 0.6 NPC69057
Remote Similarity 0.6 NPC194562
Remote Similarity 0.6 NPC222029
Remote Similarity 0.6 NPC238412
Remote Similarity 0.5986 NPC22746
Remote Similarity 0.5985 NPC470544
Remote Similarity 0.5969 NPC471317
Remote Similarity 0.5966 NPC252067
Remote Similarity 0.5959 NPC157311
Remote Similarity 0.5959 NPC316746
Remote Similarity 0.5956 NPC472164
Remote Similarity 0.5952 NPC239185
Remote Similarity 0.5948 NPC308197
Remote Similarity 0.5935 NPC103346
Remote Similarity 0.5932 NPC197581
Remote Similarity 0.5929 NPC302169
Remote Similarity 0.5918 NPC8761
Remote Similarity 0.5918 NPC44805
Remote Similarity 0.5918 NPC325479
Remote Similarity 0.5917 NPC164526
Remote Similarity 0.5913 NPC12857
Remote Similarity 0.5912 NPC295021
Remote Similarity 0.5906 NPC473360
Remote Similarity 0.5906 NPC134882
Remote Similarity 0.5906 NPC75724
Remote Similarity 0.5906 NPC49994
Remote Similarity 0.5903 NPC136453
Remote Similarity 0.5903 NPC250476
Remote Similarity 0.5903 NPC119326
Remote Similarity 0.5897 NPC100039
Remote Similarity 0.5897 NPC73978
Remote Similarity 0.5893 NPC248862
Remote Similarity 0.5893 NPC328611
Remote Similarity 0.5893 NPC469529
Remote Similarity 0.5887 NPC323420
Remote Similarity 0.5887 NPC314192
Remote Similarity 0.5882 NPC131450
Remote Similarity 0.5882 NPC182057
Remote Similarity 0.5882 NPC169016
Remote Similarity 0.5882 NPC147298

Drug Structure

External Identifiers

TTD   DIB012140
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   126342
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  290.07
ALogP  -0.4897
MLogP  2.23
XLogP  2.334
HDA  6
HBD  0
Rotatable Bonds  6
TPSA  74.76
RO5 Violation  0