Drug Information

Drug ID:  NPD455
Drug Name:  dezinamide
Molecular Formula:  C11H11F3N2O2
Canonical SMILES:  OC(=N)N1CC(C1)Oc1cccc(c1)C(F)(F)F
Standard InCHI:  InChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)18-9-5-16(6-9)10(15)17/h1-4,9H,5-6H2,(H2,15,17)
Standard InCHIKey:  LIAILJLSVRAGSM-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD455

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 0.7464 NPC471321
Intermediate Similarity 0.7464 NPC471306
Intermediate Similarity 0.7372 NPC320242
Intermediate Similarity 0.7372 NPC136112
Intermediate Similarity 0.7372 NPC141739
Intermediate Similarity 0.7353 NPC328267
Intermediate Similarity 0.7305 NPC307123
Intermediate Similarity 0.7305 NPC247018
Intermediate Similarity 0.7305 NPC97870
Intermediate Similarity 0.7305 NPC274732
Intermediate Similarity 0.7295 NPC313918
Intermediate Similarity 0.7172 NPC231163
Intermediate Similarity 0.7172 NPC318591
Intermediate Similarity 0.7054 NPC146530
Remote Similarity 0.6985 NPC256369
Remote Similarity 0.6984 NPC51633
Remote Similarity 0.6959 NPC83289
Remote Similarity 0.6959 NPC212850
Remote Similarity 0.6959 NPC189724
Remote Similarity 0.6947 NPC95977
Remote Similarity 0.6934 NPC263835
Remote Similarity 0.6929 NPC192596
Remote Similarity 0.6918 NPC237227
Remote Similarity 0.6917 NPC26524
Remote Similarity 0.6894 NPC21890
Remote Similarity 0.6894 NPC55300
Remote Similarity 0.6894 NPC166837
Remote Similarity 0.6875 NPC108875
Remote Similarity 0.6875 NPC38079
Remote Similarity 0.6857 NPC255253
Remote Similarity 0.6846 NPC258171
Remote Similarity 0.6846 NPC194034
Remote Similarity 0.6842 NPC165646
Remote Similarity 0.6838 NPC137096
Remote Similarity 0.6828 NPC471953
Remote Similarity 0.6822 NPC42383
Remote Similarity 0.6822 NPC470393
Remote Similarity 0.6822 NPC8302
Remote Similarity 0.6812 NPC160120
Remote Similarity 0.6812 NPC17388
Remote Similarity 0.6812 NPC53596
Remote Similarity 0.6812 NPC321133
Remote Similarity 0.6812 NPC289330
Remote Similarity 0.6812 NPC471308
Remote Similarity 0.6794 NPC309982
Remote Similarity 0.6786 NPC298486
Remote Similarity 0.6776 NPC247298
Remote Similarity 0.6746 NPC95755
Remote Similarity 0.6744 NPC474603
Remote Similarity 0.6744 NPC12987
Remote Similarity 0.6738 NPC211218
Remote Similarity 0.6718 NPC186469
Remote Similarity 0.6718 NPC227894
Remote Similarity 0.6715 NPC120075
Remote Similarity 0.6693 NPC471576
Remote Similarity 0.6693 NPC100870
Remote Similarity 0.6692 NPC46844
Remote Similarity 0.6692 NPC288760
Remote Similarity 0.6691 NPC301321
Remote Similarity 0.6691 NPC303370
Remote Similarity 0.6689 NPC204546
Remote Similarity 0.6688 NPC245974
Remote Similarity 0.6667 NPC241549
Remote Similarity 0.6667 NPC471314
Remote Similarity 0.6667 NPC471315
Remote Similarity 0.6667 NPC283616
Remote Similarity 0.6667 NPC97811
Remote Similarity 0.6646 NPC22014
Remote Similarity 0.6644 NPC329595
Remote Similarity 0.6644 NPC470249
Remote Similarity 0.6644 NPC326599
Remote Similarity 0.6644 NPC174754
Remote Similarity 0.6643 NPC183262
Remote Similarity 0.6643 NPC318357
Remote Similarity 0.6642 NPC154256
Remote Similarity 0.6642 NPC290470
Remote Similarity 0.6642 NPC258992
Remote Similarity 0.6641 NPC41594
Remote Similarity 0.662 NPC217277
Remote Similarity 0.662 NPC140359
Remote Similarity 0.662 NPC13020
Remote Similarity 0.6615 NPC283546
Remote Similarity 0.6614 NPC470161
Remote Similarity 0.6594 NPC323948
Remote Similarity 0.6593 NPC115379
Remote Similarity 0.6593 NPC474920
Remote Similarity 0.6591 NPC233320
Remote Similarity 0.6589 NPC310905
Remote Similarity 0.6589 NPC12714
Remote Similarity 0.6585 NPC259134
Remote Similarity 0.6585 NPC8002
Remote Similarity 0.6585 NPC177844
Remote Similarity 0.6585 NPC99886
Remote Similarity 0.6573 NPC300955
Remote Similarity 0.6573 NPC95733
Remote Similarity 0.6573 NPC62101
Remote Similarity 0.6569 NPC10286
Remote Similarity 0.6569 NPC213
Remote Similarity 0.6567 NPC137685
Remote Similarity 0.6565 NPC473855
Remote Similarity 0.6565 NPC128730
Remote Similarity 0.6552 NPC186898
Remote Similarity 0.6547 NPC5932
Remote Similarity 0.6544 NPC301735
Remote Similarity 0.6541 NPC75440
Remote Similarity 0.6538 NPC277857
Remote Similarity 0.6538 NPC305205
Remote Similarity 0.6538 NPC115144
Remote Similarity 0.6533 NPC469808
Remote Similarity 0.6532 NPC318429
Remote Similarity 0.6532 NPC71853
Remote Similarity 0.6528 NPC71105
Remote Similarity 0.6528 NPC170583
Remote Similarity 0.6528 NPC246133
Remote Similarity 0.6528 NPC182147
Remote Similarity 0.6528 NPC29477
Remote Similarity 0.6528 NPC207541
Remote Similarity 0.6528 NPC152186
Remote Similarity 0.6525 NPC475529
Remote Similarity 0.6525 NPC473875
Remote Similarity 0.6519 NPC78918
Remote Similarity 0.6519 NPC245552
Remote Similarity 0.6519 NPC139617
Remote Similarity 0.6519 NPC13397
Remote Similarity 0.6519 NPC255068
Remote Similarity 0.6519 NPC266932
Remote Similarity 0.6515 NPC164576
Remote Similarity 0.6515 NPC176971
Remote Similarity 0.6512 NPC316797
Remote Similarity 0.6512 NPC107101
Remote Similarity 0.651 NPC284855
Remote Similarity 0.651 NPC282477
Remote Similarity 0.65 NPC43275
Remote Similarity 0.65 NPC37858
Remote Similarity 0.6496 NPC470837
Remote Similarity 0.6496 NPC235250
Remote Similarity 0.6493 NPC36108
Remote Similarity 0.6493 NPC233731
Remote Similarity 0.6493 NPC7097
Remote Similarity 0.6493 NPC246358
Remote Similarity 0.6489 NPC292792
Remote Similarity 0.6486 NPC470392
Remote Similarity 0.6483 NPC301713
Remote Similarity 0.6483 NPC156944
Remote Similarity 0.6483 NPC251466
Remote Similarity 0.648 NPC321956
Remote Similarity 0.6479 NPC290451
Remote Similarity 0.6479 NPC211992
Remote Similarity 0.6479 NPC127389
Remote Similarity 0.6467 NPC264956
Remote Similarity 0.6466 NPC251306
Remote Similarity 0.6466 NPC151530
Remote Similarity 0.6466 NPC157473
Remote Similarity 0.6462 NPC307425
Remote Similarity 0.6454 NPC232295
Remote Similarity 0.6454 NPC41801
Remote Similarity 0.6449 NPC473718
Remote Similarity 0.6447 NPC299583
Remote Similarity 0.6444 NPC88868
Remote Similarity 0.6444 NPC231251
Remote Similarity 0.6444 NPC25067
Remote Similarity 0.6444 NPC94045
Remote Similarity 0.6438 NPC172403
Remote Similarity 0.6438 NPC291449
Remote Similarity 0.6438 NPC99798
Remote Similarity 0.6438 NPC251571
Remote Similarity 0.6438 NPC157740
Remote Similarity 0.6438 NPC153990
Remote Similarity 0.6438 NPC191302
Remote Similarity 0.6438 NPC41331
Remote Similarity 0.6434 NPC120638
Remote Similarity 0.6434 NPC71090
Remote Similarity 0.6429 NPC124916
Remote Similarity 0.6429 NPC329980
Remote Similarity 0.6424 NPC470248
Remote Similarity 0.6423 NPC303522
Remote Similarity 0.6418 NPC291837
Remote Similarity 0.6415 NPC47672
Remote Similarity 0.6414 NPC110131
Remote Similarity 0.6412 NPC24327
Remote Similarity 0.6412 NPC179686
Remote Similarity 0.6412 NPC12870
Remote Similarity 0.6412 NPC68055
Remote Similarity 0.6408 NPC199023
Remote Similarity 0.6408 NPC83279
Remote Similarity 0.6403 NPC316062
Remote Similarity 0.6398 NPC233926
Remote Similarity 0.6397 NPC173746
Remote Similarity 0.6397 NPC296920
Remote Similarity 0.6397 NPC90520
Remote Similarity 0.6397 NPC257124
Remote Similarity 0.6397 NPC156840
Remote Similarity 0.6397 NPC8547
Remote Similarity 0.6397 NPC275627
Remote Similarity 0.6397 NPC195873
Remote Similarity 0.6395 NPC246974
Remote Similarity 0.6395 NPC469977
Remote Similarity 0.6395 NPC147247
Remote Similarity 0.6395 NPC155838
Remote Similarity 0.6391 NPC326801

Drug Structure

External Identifiers

TTD   DIB004273
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  260.08
ALogP  0.8423
MLogP  1.9
XLogP  3.994
HDA  3
HBD  2
Rotatable Bonds  8
TPSA  56.55
RO5 Violation  0