Drug Information

Drug ID:  NPD2919
Drug Name:  
Molecular Formula:  C18H20N2O3
Canonical SMILES:  ONC(=O)c1ccc(cc1)NC(=O)[C@H](c1ccccc1)C(C)C
Standard InCHI:  InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
Standard InCHIKey:  LAMIXXKAWNLXOC-INIZCTEOSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2919

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 0.8413 NPC226143
Intermediate Similarity 0.8092 NPC192533
Intermediate Similarity 0.806 NPC314431
Intermediate Similarity 0.806 NPC280807
Intermediate Similarity 0.806 NPC472245
Intermediate Similarity 0.7939 NPC39818
Intermediate Similarity 0.7923 NPC279385
Intermediate Similarity 0.7923 NPC179605
Intermediate Similarity 0.7895 NPC472244
Intermediate Similarity 0.7895 NPC470343
Intermediate Similarity 0.7863 NPC103292
Intermediate Similarity 0.7852 NPC150863
Intermediate Similarity 0.7836 NPC322433
Intermediate Similarity 0.7803 NPC268534
Intermediate Similarity 0.7721 NPC209389
Intermediate Similarity 0.7656 NPC57051
Intermediate Similarity 0.7655 NPC472242
Intermediate Similarity 0.7612 NPC254698
Intermediate Similarity 0.7569 NPC472241
Intermediate Similarity 0.7552 NPC242933
Intermediate Similarity 0.7483 NPC83214
Intermediate Similarity 0.7463 NPC257490
Intermediate Similarity 0.7444 NPC291962
Intermediate Similarity 0.7444 NPC177684
Intermediate Similarity 0.7431 NPC472243
Intermediate Similarity 0.7388 NPC258531
Intermediate Similarity 0.7388 NPC112373
Intermediate Similarity 0.7388 NPC161956
Intermediate Similarity 0.7379 NPC2823
Intermediate Similarity 0.7379 NPC471164
Intermediate Similarity 0.736 NPC38262
Intermediate Similarity 0.7324 NPC162417
Intermediate Similarity 0.7324 NPC316104
Intermediate Similarity 0.7188 NPC172170
Intermediate Similarity 0.7163 NPC187231
Intermediate Similarity 0.7163 NPC194562
Intermediate Similarity 0.7162 NPC478040
Intermediate Similarity 0.7153 NPC300299
Intermediate Similarity 0.7122 NPC474926
Intermediate Similarity 0.7114 NPC314186
Intermediate Similarity 0.702 NPC478039
Intermediate Similarity 0.7007 NPC469560
Remote Similarity 0.6993 NPC126458
Remote Similarity 0.6993 NPC473329
Remote Similarity 0.6993 NPC314098
Remote Similarity 0.6986 NPC471123
Remote Similarity 0.6968 NPC295021
Remote Similarity 0.6959 NPC130251
Remote Similarity 0.6959 NPC207554
Remote Similarity 0.6959 NPC315051
Remote Similarity 0.6939 NPC287358
Remote Similarity 0.6928 NPC300596
Remote Similarity 0.6928 NPC237649
Remote Similarity 0.6923 NPC434
Remote Similarity 0.6913 NPC301760
Remote Similarity 0.6905 NPC75496
Remote Similarity 0.6903 NPC117032
Remote Similarity 0.6887 NPC190945
Remote Similarity 0.6849 NPC253476
Remote Similarity 0.6846 NPC473498
Remote Similarity 0.6839 NPC314223
Remote Similarity 0.6835 NPC76982
Remote Similarity 0.6821 NPC469537
Remote Similarity 0.6813 NPC176983
Remote Similarity 0.6813 NPC286871
Remote Similarity 0.6813 NPC35510
Remote Similarity 0.6813 NPC253667
Remote Similarity 0.6803 NPC191444
Remote Similarity 0.6792 NPC36495
Remote Similarity 0.679 NPC279527
Remote Similarity 0.679 NPC214960
Remote Similarity 0.6776 NPC136002
Remote Similarity 0.6763 NPC150323
Remote Similarity 0.6761 NPC79698
Remote Similarity 0.673 NPC222029
Remote Similarity 0.6727 NPC177261
Remote Similarity 0.6721 NPC176858
Remote Similarity 0.6712 NPC40364
Remote Similarity 0.6707 NPC14849
Remote Similarity 0.6707 NPC474081
Remote Similarity 0.6689 NPC173295
Remote Similarity 0.6687 NPC193410
Remote Similarity 0.6687 NPC276085
Remote Similarity 0.6687 NPC328611
Remote Similarity 0.6687 NPC248862
Remote Similarity 0.6667 NPC319645
Remote Similarity 0.6667 NPC63370
Remote Similarity 0.6667 NPC36836
Remote Similarity 0.6667 NPC133003
Remote Similarity 0.6667 NPC79618
Remote Similarity 0.6647 NPC475607
Remote Similarity 0.6647 NPC470317
Remote Similarity 0.6646 NPC248117
Remote Similarity 0.6646 NPC309531
Remote Similarity 0.6646 NPC472102
Remote Similarity 0.6644 NPC316746
Remote Similarity 0.6643 NPC205946
Remote Similarity 0.6626 NPC71132
Remote Similarity 0.6626 NPC115232
Remote Similarity 0.6625 NPC123241
Remote Similarity 0.6625 NPC61013
Remote Similarity 0.6617 NPC302790
Remote Similarity 0.6606 NPC472118
Remote Similarity 0.6587 NPC475594
Remote Similarity 0.6579 NPC471574
Remote Similarity 0.6579 NPC43477
Remote Similarity 0.6568 NPC147298
Remote Similarity 0.6568 NPC182057
Remote Similarity 0.6568 NPC475761
Remote Similarity 0.6568 NPC131450
Remote Similarity 0.6566 NPC355
Remote Similarity 0.6564 NPC189116
Remote Similarity 0.6562 NPC29285
Remote Similarity 0.6558 NPC470822
Remote Similarity 0.6558 NPC130797
Remote Similarity 0.6554 NPC130655
Remote Similarity 0.6548 NPC151635
Remote Similarity 0.6541 NPC55529
Remote Similarity 0.6538 NPC291610
Remote Similarity 0.6522 NPC104345
Remote Similarity 0.6519 NPC66936
Remote Similarity 0.6515 NPC167336
Remote Similarity 0.6514 NPC324091
Remote Similarity 0.6506 NPC471943
Remote Similarity 0.6504 NPC30445
Remote Similarity 0.6503 NPC293458
Remote Similarity 0.6503 NPC99632
Remote Similarity 0.6503 NPC282339
Remote Similarity 0.6503 NPC469741
Remote Similarity 0.6488 NPC470548
Remote Similarity 0.6486 NPC53044
Remote Similarity 0.6486 NPC207428
Remote Similarity 0.6486 NPC473962
Remote Similarity 0.6485 NPC182131
Remote Similarity 0.6483 NPC314278
Remote Similarity 0.6479 NPC475915
Remote Similarity 0.6471 NPC470301
Remote Similarity 0.6471 NPC474041
Remote Similarity 0.6471 NPC316202
Remote Similarity 0.6471 NPC475094
Remote Similarity 0.6467 NPC318183
Remote Similarity 0.646 NPC84317
Remote Similarity 0.6456 NPC144691
Remote Similarity 0.6453 NPC470205
Remote Similarity 0.6446 NPC167724
Remote Similarity 0.6446 NPC224970
Remote Similarity 0.6446 NPC475248
Remote Similarity 0.6446 NPC223595
Remote Similarity 0.6446 NPC63047
Remote Similarity 0.6442 NPC143457
Remote Similarity 0.6442 NPC315368
Remote Similarity 0.6439 NPC275467
Remote Similarity 0.6438 NPC307437
Remote Similarity 0.6438 NPC72473
Remote Similarity 0.6438 NPC58827
Remote Similarity 0.6429 NPC73280
Remote Similarity 0.642 NPC313293
Remote Similarity 0.642 NPC113946
Remote Similarity 0.6416 NPC471742
Remote Similarity 0.6416 NPC477003
Remote Similarity 0.6415 NPC154602
Remote Similarity 0.641 NPC313850
Remote Similarity 0.6402 NPC214106
Remote Similarity 0.64 NPC474473
Remote Similarity 0.6395 NPC122235
Remote Similarity 0.6393 NPC229477
Remote Similarity 0.6392 NPC242000
Remote Similarity 0.6387 NPC101130
Remote Similarity 0.6387 NPC58268
Remote Similarity 0.6387 NPC308197
Remote Similarity 0.6387 NPC114033
Remote Similarity 0.6387 NPC129412
Remote Similarity 0.6386 NPC471652
Remote Similarity 0.6384 NPC476460
Remote Similarity 0.6383 NPC228515
Remote Similarity 0.6383 NPC229353
Remote Similarity 0.6382 NPC122553
Remote Similarity 0.638 NPC154478
Remote Similarity 0.6375 NPC285381
Remote Similarity 0.637 NPC119326
Remote Similarity 0.6369 NPC292265
Remote Similarity 0.6369 NPC6982
Remote Similarity 0.6364 NPC113056
Remote Similarity 0.6364 NPC473666
Remote Similarity 0.6364 NPC138293
Remote Similarity 0.6364 NPC328270
Remote Similarity 0.6364 NPC284706
Remote Similarity 0.6364 NPC22082
Remote Similarity 0.6364 NPC186284
Remote Similarity 0.6358 NPC477159
Remote Similarity 0.6353 NPC471743
Remote Similarity 0.6351 NPC477432
Remote Similarity 0.6347 NPC470971
Remote Similarity 0.6345 NPC226794
Remote Similarity 0.6343 NPC141612
Remote Similarity 0.6343 NPC17273
Remote Similarity 0.6343 NPC135601
Remote Similarity 0.6341 NPC474058
Remote Similarity 0.6341 NPC225319
Remote Similarity 0.6337 NPC88110

Drug Structure

External Identifiers

TTD   DNCL002558
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6918848
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  312.15
ALogP  -1.3017
MLogP  2.89
XLogP  5.161
HDA  3
HBD  3
Rotatable Bonds  10
TPSA  78.43
RO5 Violation  1