Drug Information

Drug ID:  NPD3423
Drug Name:  WCK-771
Molecular Formula:  C19H21FN2O4
Canonical SMILES:  OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C
Standard InCHI:  InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1
Standard InCHIKey:  JYJTVFIEFKZWCJ-JTQLQIEISA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3423

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
High Similarity 0.8675 NPC318183
High Similarity 0.8563 NPC292265
Intermediate Similarity 0.7895 NPC329567
Intermediate Similarity 0.7895 NPC330683
Intermediate Similarity 0.7778 NPC316141
Intermediate Similarity 0.7263 NPC472118
Intermediate Similarity 0.7243 NPC97584
Intermediate Similarity 0.7097 NPC470317
Intermediate Similarity 0.7079 NPC472117
Intermediate Similarity 0.7079 NPC293458
Intermediate Similarity 0.7062 NPC36495
Intermediate Similarity 0.7027 NPC99043
Intermediate Similarity 0.7027 NPC218594
Intermediate Similarity 0.7011 NPC476441
Remote Similarity 0.6963 NPC313293
Remote Similarity 0.6959 NPC314186
Remote Similarity 0.6931 NPC52262
Remote Similarity 0.691 NPC123241
Remote Similarity 0.691 NPC61013
Remote Similarity 0.6882 NPC186669
Remote Similarity 0.6868 NPC472115
Remote Similarity 0.6868 NPC472114
Remote Similarity 0.6852 NPC472244
Remote Similarity 0.6852 NPC470343
Remote Similarity 0.6848 NPC314098
Remote Similarity 0.6833 NPC248117
Remote Similarity 0.6833 NPC225319
Remote Similarity 0.6833 NPC474058
Remote Similarity 0.6831 NPC223595
Remote Similarity 0.6831 NPC224970
Remote Similarity 0.6831 NPC167724
Remote Similarity 0.6828 NPC203202
Remote Similarity 0.6828 NPC264482
Remote Similarity 0.6818 NPC154602
Remote Similarity 0.6813 NPC472106
Remote Similarity 0.6811 NPC476425
Remote Similarity 0.6796 NPC472101
Remote Similarity 0.6796 NPC472120
Remote Similarity 0.6789 NPC471742
Remote Similarity 0.6782 NPC478039
Remote Similarity 0.6778 NPC193410
Remote Similarity 0.6772 NPC476428
Remote Similarity 0.6771 NPC14994
Remote Similarity 0.6771 NPC473815
Remote Similarity 0.6766 NPC329833
Remote Similarity 0.6758 NPC204867
Remote Similarity 0.6755 NPC6974
Remote Similarity 0.6742 NPC478076
Remote Similarity 0.674 NPC27904
Remote Similarity 0.6735 NPC221687
Remote Similarity 0.6722 NPC113946
Remote Similarity 0.672 NPC251212
Remote Similarity 0.672 NPC214626
Remote Similarity 0.672 NPC139085
Remote Similarity 0.6704 NPC473297
Remote Similarity 0.6703 NPC282339
Remote Similarity 0.6703 NPC99632
Remote Similarity 0.6702 NPC127082
Remote Similarity 0.6701 NPC97100
Remote Similarity 0.6701 NPC473375
Remote Similarity 0.67 NPC478075
Remote Similarity 0.6687 NPC291962
Remote Similarity 0.6687 NPC177684
Remote Similarity 0.6685 NPC285381
Remote Similarity 0.6667 NPC138293
Remote Similarity 0.6667 NPC113056
Remote Similarity 0.6667 NPC144691
Remote Similarity 0.6649 NPC159963
Remote Similarity 0.6649 NPC316405
Remote Similarity 0.6647 NPC316746
Remote Similarity 0.6646 NPC112373
Remote Similarity 0.6646 NPC161956
Remote Similarity 0.6646 NPC258531
Remote Similarity 0.663 NPC153694
Remote Similarity 0.663 NPC470069
Remote Similarity 0.663 NPC52059
Remote Similarity 0.663 NPC211525
Remote Similarity 0.6629 NPC314223
Remote Similarity 0.6628 NPC472243
Remote Similarity 0.6617 NPC232600
Remote Similarity 0.6616 NPC303214
Remote Similarity 0.6612 NPC253667
Remote Similarity 0.6612 NPC35510
Remote Similarity 0.6605 NPC257490
Remote Similarity 0.6596 NPC469726
Remote Similarity 0.6596 NPC470548
Remote Similarity 0.6596 NPC329338
Remote Similarity 0.6595 NPC279527
Remote Similarity 0.6595 NPC214960
Remote Similarity 0.6587 NPC314431
Remote Similarity 0.6582 NPC203628
Remote Similarity 0.6561 NPC475607
Remote Similarity 0.6557 NPC309531
Remote Similarity 0.6557 NPC472102
Remote Similarity 0.6543 NPC210415
Remote Similarity 0.6543 NPC298851
Remote Similarity 0.6543 NPC276993
Remote Similarity 0.6543 NPC293255
Remote Similarity 0.6543 NPC21752
Remote Similarity 0.6543 NPC181138
Remote Similarity 0.6536 NPC243756
Remote Similarity 0.6535 NPC471512
Remote Similarity 0.6531 NPC5630
Remote Similarity 0.6531 NPC22689
Remote Similarity 0.6531 NPC105055
Remote Similarity 0.6529 NPC253476
Remote Similarity 0.6528 NPC285923
Remote Similarity 0.6527 NPC150863
Remote Similarity 0.6526 NPC474081
Remote Similarity 0.6526 NPC476326
Remote Similarity 0.6526 NPC260075
Remote Similarity 0.651 NPC475962
Remote Similarity 0.6508 NPC475594
Remote Similarity 0.6503 NPC310403
Remote Similarity 0.6503 NPC263709
Remote Similarity 0.6503 NPC243673
Remote Similarity 0.6503 NPC148468
Remote Similarity 0.6503 NPC97380
Remote Similarity 0.6503 NPC63210
Remote Similarity 0.6502 NPC328596
Remote Similarity 0.6502 NPC328318
Remote Similarity 0.6502 NPC1464
Remote Similarity 0.6494 NPC43477
Remote Similarity 0.6492 NPC474041
Remote Similarity 0.6488 NPC280807
Remote Similarity 0.6488 NPC472245
Remote Similarity 0.6486 NPC151171
Remote Similarity 0.6485 NPC285394
Remote Similarity 0.6484 NPC29285
Remote Similarity 0.6481 NPC226143
Remote Similarity 0.6468 NPC138615
Remote Similarity 0.6468 NPC132874
Remote Similarity 0.6468 NPC265642
Remote Similarity 0.6468 NPC218733
Remote Similarity 0.6463 NPC39818
Remote Similarity 0.6457 NPC472241
Remote Similarity 0.6455 NPC96901
Remote Similarity 0.6441 NPC472242
Remote Similarity 0.6439 NPC87714
Remote Similarity 0.6439 NPC314648
Remote Similarity 0.6429 NPC317752
Remote Similarity 0.6429 NPC472323
Remote Similarity 0.6418 NPC162440
Remote Similarity 0.6416 NPC281104
Remote Similarity 0.6414 NPC25401
Remote Similarity 0.6409 NPC122106
Remote Similarity 0.6406 NPC475761
Remote Similarity 0.6406 NPC475094
Remote Similarity 0.6391 NPC194562
Remote Similarity 0.6387 NPC471743
Remote Similarity 0.6383 NPC470971
Remote Similarity 0.6381 NPC318299
Remote Similarity 0.6373 NPC298320
Remote Similarity 0.6373 NPC475685
Remote Similarity 0.6368 NPC470787
Remote Similarity 0.6368 NPC472540
Remote Similarity 0.6368 NPC472539
Remote Similarity 0.6368 NPC170333
Remote Similarity 0.6368 NPC472116
Remote Similarity 0.6359 NPC115588
Remote Similarity 0.6344 NPC476231
Remote Similarity 0.6343 NPC242933
Remote Similarity 0.6341 NPC179605
Remote Similarity 0.6341 NPC279385
Remote Similarity 0.6339 NPC161827
Remote Similarity 0.6337 NPC472541
Remote Similarity 0.6337 NPC472542
Remote Similarity 0.633 NPC278887
Remote Similarity 0.633 NPC182131
Remote Similarity 0.6329 NPC313796
Remote Similarity 0.6329 NPC317373
Remote Similarity 0.6329 NPC315638
Remote Similarity 0.6329 NPC313345
Remote Similarity 0.6329 NPC195787
Remote Similarity 0.6329 NPC314855
Remote Similarity 0.6329 NPC246140
Remote Similarity 0.6318 NPC202812
Remote Similarity 0.6313 NPC477998
Remote Similarity 0.631 NPC313757
Remote Similarity 0.6307 NPC471164
Remote Similarity 0.6304 NPC469536
Remote Similarity 0.6303 NPC103292
Remote Similarity 0.6298 NPC314297
Remote Similarity 0.6298 NPC315545
Remote Similarity 0.629 NPC315368
Remote Similarity 0.6289 NPC286994
Remote Similarity 0.6289 NPC15840
Remote Similarity 0.6286 NPC83214
Remote Similarity 0.628 NPC327592
Remote Similarity 0.6277 NPC471124
Remote Similarity 0.6277 NPC471130
Remote Similarity 0.6272 NPC58827
Remote Similarity 0.6272 NPC307437
Remote Similarity 0.6272 NPC72473
Remote Similarity 0.6262 NPC15987
Remote Similarity 0.6257 NPC472121
Remote Similarity 0.6257 NPC176983
Remote Similarity 0.625 NPC22476
Remote Similarity 0.6244 NPC249150
Remote Similarity 0.6244 NPC313985

Drug Structure

External Identifiers

TTD   DIB011509
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  360.15
ALogP  -1.5345
MLogP  2.78
XLogP  2.53
HDA  6
HBD  2
Rotatable Bonds  6
TPSA  81.08
RO5 Violation  0