Drug Information

Drug ID:  NPD1323
Drug Name:  FK-962
Molecular Formula:  C14H17FN2O2
Canonical SMILES:  O=C(c1ccc(cc1)F)NC1CCN(CC1)C(=O)C
Standard InCHI:  InChI=1S/C14H17FN2O2/c1-10(18)17-8-6-13(7-9-17)16-14(19)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3,(H,16,19)
Standard InCHIKey:  VBHVOHJOTMCSBQ-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1323

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 0.7752 NPC126458
Intermediate Similarity 0.7607 NPC55529
Intermediate Similarity 0.7586 NPC473418
Intermediate Similarity 0.7586 NPC167336
Intermediate Similarity 0.7576 NPC162417
Intermediate Similarity 0.7576 NPC316104
Intermediate Similarity 0.757 NPC17497
Intermediate Similarity 0.757 NPC305602
Intermediate Similarity 0.7568 NPC256452
Intermediate Similarity 0.752 NPC27833
Intermediate Similarity 0.7477 NPC246757
Intermediate Similarity 0.7477 NPC291070
Intermediate Similarity 0.7442 NPC322433
Intermediate Similarity 0.7364 NPC79698
Intermediate Similarity 0.7177 NPC113099
Intermediate Similarity 0.7163 NPC313850
Intermediate Similarity 0.7037 NPC473962
Intermediate Similarity 0.7018 NPC71140
Intermediate Similarity 0.7 NPC471164
Remote Similarity 0.6935 NPC181390
Remote Similarity 0.693 NPC473661
Remote Similarity 0.687 NPC474974
Remote Similarity 0.686 NPC476198
Remote Similarity 0.6847 NPC258046
Remote Similarity 0.6846 NPC279385
Remote Similarity 0.6846 NPC179605
Remote Similarity 0.6818 NPC169016
Remote Similarity 0.681 NPC329430
Remote Similarity 0.6803 NPC473498
Remote Similarity 0.6803 NPC45033
Remote Similarity 0.6794 NPC71684
Remote Similarity 0.6794 NPC103292
Remote Similarity 0.6788 NPC207428
Remote Similarity 0.6777 NPC275467
Remote Similarity 0.6772 NPC33742
Remote Similarity 0.6769 NPC291962
Remote Similarity 0.6769 NPC226143
Remote Similarity 0.6769 NPC177684
Remote Similarity 0.6757 NPC117032
Remote Similarity 0.6742 NPC268534
Remote Similarity 0.6732 NPC113056
Remote Similarity 0.6732 NPC138293
Remote Similarity 0.6729 NPC12857
Remote Similarity 0.6721 NPC67043
Remote Similarity 0.6718 NPC161956
Remote Similarity 0.6718 NPC258531
Remote Similarity 0.6718 NPC112373
Remote Similarity 0.6693 NPC57051
Remote Similarity 0.6693 NPC276949
Remote Similarity 0.6693 NPC35850
Remote Similarity 0.6692 NPC254698
Remote Similarity 0.6691 NPC266425
Remote Similarity 0.6691 NPC474473
Remote Similarity 0.6667 NPC122553
Remote Similarity 0.6667 NPC239357
Remote Similarity 0.6667 NPC40364
Remote Similarity 0.6643 NPC2823
Remote Similarity 0.6639 NPC322598
Remote Similarity 0.6617 NPC26285
Remote Similarity 0.6613 NPC172170
Remote Similarity 0.6577 NPC104070
Remote Similarity 0.6565 NPC220698
Remote Similarity 0.6552 NPC470926
Remote Similarity 0.6542 NPC271642
Remote Similarity 0.6541 NPC257490
Remote Similarity 0.6538 NPC285926
Remote Similarity 0.6538 NPC315276
Remote Similarity 0.6538 NPC14672
Remote Similarity 0.6532 NPC471447
Remote Similarity 0.6522 NPC472245
Remote Similarity 0.6519 NPC192533
Remote Similarity 0.6519 NPC285394
Remote Similarity 0.6519 NPC22746
Remote Similarity 0.6513 NPC84317
Remote Similarity 0.651 NPC473329
Remote Similarity 0.6503 NPC238412
Remote Similarity 0.6503 NPC469560
Remote Similarity 0.6481 NPC98269
Remote Similarity 0.6481 NPC325662
Remote Similarity 0.6466 NPC302169
Remote Similarity 0.6462 NPC473573
Remote Similarity 0.6458 NPC130251
Remote Similarity 0.6452 NPC143516
Remote Similarity 0.6449 NPC209389
Remote Similarity 0.6449 NPC98976
Remote Similarity 0.6433 NPC279527
Remote Similarity 0.6433 NPC214960
Remote Similarity 0.6429 NPC154478
Remote Similarity 0.6429 NPC119677
Remote Similarity 0.6417 NPC472258
Remote Similarity 0.6417 NPC293628
Remote Similarity 0.6417 NPC122493
Remote Similarity 0.6417 NPC10781
Remote Similarity 0.6408 NPC300299
Remote Similarity 0.6403 NPC179224
Remote Similarity 0.64 NPC474973
Remote Similarity 0.64 NPC474804
Remote Similarity 0.64 NPC130898
Remote Similarity 0.6397 NPC222466
Remote Similarity 0.6389 NPC139658
Remote Similarity 0.6387 NPC472102
Remote Similarity 0.6387 NPC108339
Remote Similarity 0.6387 NPC309531
Remote Similarity 0.6385 NPC246904
Remote Similarity 0.6378 NPC158854
Remote Similarity 0.6377 NPC305717
Remote Similarity 0.6371 NPC38262
Remote Similarity 0.637 NPC39818
Remote Similarity 0.6364 NPC300205
Remote Similarity 0.6364 NPC470545
Remote Similarity 0.6357 NPC157311
Remote Similarity 0.635 NPC101719
Remote Similarity 0.635 NPC472244
Remote Similarity 0.635 NPC470343
Remote Similarity 0.6343 NPC200964
Remote Similarity 0.6341 NPC291610
Remote Similarity 0.6338 NPC253476
Remote Similarity 0.6333 NPC471319
Remote Similarity 0.6333 NPC471320
Remote Similarity 0.6331 NPC150863
Remote Similarity 0.6331 NPC111428
Remote Similarity 0.6328 NPC319579
Remote Similarity 0.6319 NPC132636
Remote Similarity 0.6316 NPC470546
Remote Similarity 0.6312 NPC44805
Remote Similarity 0.6312 NPC8761
Remote Similarity 0.6309 NPC324445
Remote Similarity 0.6306 NPC189116
Remote Similarity 0.6306 NPC164086
Remote Similarity 0.6304 NPC119326
Remote Similarity 0.6303 NPC322040
Remote Similarity 0.6303 NPC469330
Remote Similarity 0.6299 NPC473676
Remote Similarity 0.6294 NPC173295
Remote Similarity 0.629 NPC202613
Remote Similarity 0.629 NPC164859
Remote Similarity 0.6288 NPC470544
Remote Similarity 0.6286 NPC314431
Remote Similarity 0.6286 NPC280807
Remote Similarity 0.6283 NPC474088
Remote Similarity 0.6281 NPC324569
Remote Similarity 0.6279 NPC275410
Remote Similarity 0.6276 NPC319645
Remote Similarity 0.6276 NPC83214
Remote Similarity 0.6273 NPC36342
Remote Similarity 0.6273 NPC2785
Remote Similarity 0.6273 NPC285470
Remote Similarity 0.627 NPC327481
Remote Similarity 0.6259 NPC72473
Remote Similarity 0.6259 NPC58827
Remote Similarity 0.6259 NPC472241
Remote Similarity 0.6259 NPC307437
Remote Similarity 0.6258 NPC14849
Remote Similarity 0.6258 NPC222029
Remote Similarity 0.6231 NPC474584
Remote Similarity 0.6218 NPC276085
Remote Similarity 0.6211 NPC292265
Remote Similarity 0.6207 NPC69057
Remote Similarity 0.6207 NPC53492
Remote Similarity 0.6204 NPC175726
Remote Similarity 0.6204 NPC122327
Remote Similarity 0.6204 NPC112609
Remote Similarity 0.6204 NPC474082
Remote Similarity 0.6204 NPC113000
Remote Similarity 0.6197 NPC32858
Remote Similarity 0.6197 NPC257390
Remote Similarity 0.6197 NPC194857
Remote Similarity 0.619 NPC43477
Remote Similarity 0.619 NPC301760
Remote Similarity 0.6188 NPC66490
Remote Similarity 0.6187 NPC136453
Remote Similarity 0.6182 NPC245966
Remote Similarity 0.6179 NPC75496
Remote Similarity 0.6176 NPC314192
Remote Similarity 0.617 NPC187231
Remote Similarity 0.617 NPC194562
Remote Similarity 0.6161 NPC190567
Remote Similarity 0.6161 NPC71664
Remote Similarity 0.616 NPC471317
Remote Similarity 0.6154 NPC329011
Remote Similarity 0.6154 NPC475013
Remote Similarity 0.6149 NPC472118
Remote Similarity 0.6144 NPC314223
Remote Similarity 0.6143 NPC152850
Remote Similarity 0.6143 NPC105114
Remote Similarity 0.6143 NPC239990
Remote Similarity 0.6143 NPC89923
Remote Similarity 0.6143 NPC71933
Remote Similarity 0.614 NPC273758
Remote Similarity 0.6138 NPC471123
Remote Similarity 0.6135 NPC248862
Remote Similarity 0.6135 NPC328611
Remote Similarity 0.6133 NPC472242
Remote Similarity 0.6131 NPC133003
Remote Similarity 0.6122 NPC242933
Remote Similarity 0.6122 NPC207554
Remote Similarity 0.6122 NPC472243
Remote Similarity 0.6122 NPC315051
Remote Similarity 0.6121 NPC182057
Remote Similarity 0.6121 NPC131450

Drug Structure

External Identifiers

TTD   DIB006481
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  264.13
ALogP  -1.3832
MLogP  2.45
XLogP  1.967
HDA  4
HBD  1
Rotatable Bonds  6
TPSA  49.41
RO5 Violation  0