Drug Information

Drug ID:  NPD2022
Drug Name:  Azidocillin
Molecular Formula:  C16H17N5O4S
Canonical SMILES:  OC(=N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@@H](c1ccccc1)N=[N+]=[N-]
Standard InCHI:  InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1
Standard InCHIKey:  ODFHGIPNGIAMDK-NJBDSQKTSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD2022

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 0.9552 NPC468984
High Similarity 0.8611 NPC13470
Intermediate Similarity 0.8261 NPC300315
Intermediate Similarity 0.8082 NPC322878
Intermediate Similarity 0.7862 NPC89489
Intermediate Similarity 0.7799 NPC315388
Intermediate Similarity 0.7574 NPC470544
Intermediate Similarity 0.7571 NPC6975
Intermediate Similarity 0.7566 NPC105717
Intermediate Similarity 0.7554 NPC202521
Intermediate Similarity 0.7518 NPC470545
Intermediate Similarity 0.7483 NPC471680
Intermediate Similarity 0.7482 NPC476990
Intermediate Similarity 0.7482 NPC200964
Intermediate Similarity 0.7464 NPC470546
Intermediate Similarity 0.7432 NPC471265
Intermediate Similarity 0.7432 NPC471264
Intermediate Similarity 0.7431 NPC473322
Intermediate Similarity 0.74 NPC269398
Intermediate Similarity 0.74 NPC263493
Intermediate Similarity 0.7394 NPC318930
Intermediate Similarity 0.7394 NPC317725
Intermediate Similarity 0.7394 NPC326407
Intermediate Similarity 0.7394 NPC317362
Intermediate Similarity 0.7376 NPC252878
Intermediate Similarity 0.7372 NPC286551
Intermediate Similarity 0.7329 NPC130309
Intermediate Similarity 0.7324 NPC46427
Intermediate Similarity 0.7319 NPC239357
Intermediate Similarity 0.729 NPC283783
Intermediate Similarity 0.7273 NPC22746
Intermediate Similarity 0.7267 NPC476133
Intermediate Similarity 0.7267 NPC178662
Intermediate Similarity 0.7267 NPC92784
Intermediate Similarity 0.7267 NPC98424
Intermediate Similarity 0.7267 NPC470884
Intermediate Similarity 0.7255 NPC209509
Intermediate Similarity 0.7237 NPC161069
Intermediate Similarity 0.7222 NPC101719
Intermediate Similarity 0.7211 NPC255447
Intermediate Similarity 0.72 NPC127741
Intermediate Similarity 0.7194 NPC14672
Intermediate Similarity 0.7194 NPC285926
Intermediate Similarity 0.7194 NPC315276
Intermediate Similarity 0.719 NPC315283
Intermediate Similarity 0.719 NPC314388
Intermediate Similarity 0.7183 NPC71684
Intermediate Similarity 0.7161 NPC225648
Intermediate Similarity 0.7161 NPC83790
Intermediate Similarity 0.7161 NPC329761
Intermediate Similarity 0.7161 NPC128237
Intermediate Similarity 0.7153 NPC222466
Intermediate Similarity 0.7143 NPC315266
Intermediate Similarity 0.7143 NPC313867
Intermediate Similarity 0.7143 NPC5620
Intermediate Similarity 0.7143 NPC316008
Intermediate Similarity 0.7123 NPC319766
Intermediate Similarity 0.7114 NPC287401
Intermediate Similarity 0.7105 NPC476259
Intermediate Similarity 0.7101 NPC276949
Intermediate Similarity 0.7101 NPC35850
Intermediate Similarity 0.7097 NPC314358
Intermediate Similarity 0.7086 NPC68865
Intermediate Similarity 0.7078 NPC476978
Intermediate Similarity 0.7067 NPC248283
Intermediate Similarity 0.7059 NPC168113
Intermediate Similarity 0.7051 NPC145113
Intermediate Similarity 0.7051 NPC311658
Intermediate Similarity 0.7051 NPC138775
Intermediate Similarity 0.705 NPC33742
Intermediate Similarity 0.7039 NPC132636
Intermediate Similarity 0.7027 NPC200589
Intermediate Similarity 0.7013 NPC197682
Intermediate Similarity 0.7013 NPC139326
Intermediate Similarity 0.7013 NPC176226
Remote Similarity 0.6993 NPC163392
Remote Similarity 0.6993 NPC239762
Remote Similarity 0.6968 NPC52748
Remote Similarity 0.6962 NPC129666
Remote Similarity 0.6962 NPC2501
Remote Similarity 0.6959 NPC111428
Remote Similarity 0.6948 NPC469427
Remote Similarity 0.6948 NPC469426
Remote Similarity 0.6933 NPC246079
Remote Similarity 0.6879 NPC262077
Remote Similarity 0.6875 NPC302169
Remote Similarity 0.6875 NPC329731
Remote Similarity 0.6875 NPC162104
Remote Similarity 0.6875 NPC4910
Remote Similarity 0.6871 NPC326349
Remote Similarity 0.6871 NPC323336
Remote Similarity 0.6852 NPC469903
Remote Similarity 0.6849 NPC474082
Remote Similarity 0.6849 NPC175726
Remote Similarity 0.6846 NPC469666
Remote Similarity 0.6839 NPC476989
Remote Similarity 0.6835 NPC16188
Remote Similarity 0.6832 NPC122590
Remote Similarity 0.6813 NPC475168
Remote Similarity 0.6813 NPC7817
Remote Similarity 0.6798 NPC329961
Remote Similarity 0.6798 NPC122427
Remote Similarity 0.6792 NPC240848
Remote Similarity 0.6792 NPC471821
Remote Similarity 0.6792 NPC471820
Remote Similarity 0.6786 NPC474584
Remote Similarity 0.6783 NPC254088
Remote Similarity 0.6772 NPC81026
Remote Similarity 0.677 NPC233702
Remote Similarity 0.6765 NPC476198
Remote Similarity 0.675 NPC254798
Remote Similarity 0.674 NPC184933
Remote Similarity 0.674 NPC59827
Remote Similarity 0.6732 NPC141050
Remote Similarity 0.673 NPC135121
Remote Similarity 0.6728 NPC261934
Remote Similarity 0.6728 NPC5194
Remote Similarity 0.6728 NPC262166
Remote Similarity 0.6724 NPC153554
Remote Similarity 0.6715 NPC327481
Remote Similarity 0.671 NPC242159
Remote Similarity 0.671 NPC313694
Remote Similarity 0.6709 NPC201244
Remote Similarity 0.6709 NPC477217
Remote Similarity 0.6709 NPC266741
Remote Similarity 0.6688 NPC77905
Remote Similarity 0.6687 NPC470902
Remote Similarity 0.6687 NPC469902
Remote Similarity 0.6667 NPC307357
Remote Similarity 0.6667 NPC477526
Remote Similarity 0.6667 NPC46098
Remote Similarity 0.6667 NPC197743
Remote Similarity 0.6667 NPC297145
Remote Similarity 0.6667 NPC472923
Remote Similarity 0.6667 NPC189116
Remote Similarity 0.6667 NPC268841
Remote Similarity 0.6642 NPC12730
Remote Similarity 0.663 NPC165538
Remote Similarity 0.663 NPC477527
Remote Similarity 0.6627 NPC61004
Remote Similarity 0.6626 NPC56685
Remote Similarity 0.6626 NPC202198
Remote Similarity 0.6605 NPC473491
Remote Similarity 0.66 NPC477937
Remote Similarity 0.6596 NPC329011
Remote Similarity 0.6596 NPC475013
Remote Similarity 0.6568 NPC63931
Remote Similarity 0.6567 NPC322598
Remote Similarity 0.6566 NPC324850
Remote Similarity 0.6552 NPC169328
Remote Similarity 0.6545 NPC473580
Remote Similarity 0.6541 NPC25565
Remote Similarity 0.6533 NPC47667
Remote Similarity 0.6528 NPC197470
Remote Similarity 0.6525 NPC319579
Remote Similarity 0.6524 NPC473341
Remote Similarity 0.6512 NPC475123
Remote Similarity 0.6512 NPC475204
Remote Similarity 0.6507 NPC310467
Remote Similarity 0.6507 NPC237420
Remote Similarity 0.6503 NPC476048
Remote Similarity 0.6496 NPC164859
Remote Similarity 0.6494 NPC325479
Remote Similarity 0.6493 NPC475439
Remote Similarity 0.6493 NPC473501
Remote Similarity 0.6488 NPC469243
Remote Similarity 0.6488 NPC469901
Remote Similarity 0.6485 NPC39431
Remote Similarity 0.6475 NPC474973
Remote Similarity 0.6475 NPC474804
Remote Similarity 0.6475 NPC130898
Remote Similarity 0.6463 NPC300443
Remote Similarity 0.6461 NPC161143
Remote Similarity 0.6453 NPC473000
Remote Similarity 0.6453 NPC469904
Remote Similarity 0.6453 NPC129486
Remote Similarity 0.6446 NPC244509
Remote Similarity 0.6437 NPC137627
Remote Similarity 0.6429 NPC469898
Remote Similarity 0.6412 NPC258627
Remote Similarity 0.6404 NPC477637
Remote Similarity 0.6403 NPC143516
Remote Similarity 0.6403 NPC67043
Remote Similarity 0.6402 NPC324081
Remote Similarity 0.64 NPC26108
Remote Similarity 0.6395 NPC314992
Remote Similarity 0.6395 NPC220698
Remote Similarity 0.6391 NPC473003
Remote Similarity 0.6391 NPC471527
Remote Similarity 0.6391 NPC475544
Remote Similarity 0.6389 NPC96016
Remote Similarity 0.6386 NPC473002
Remote Similarity 0.6377 NPC471317
Remote Similarity 0.6374 NPC223207
Remote Similarity 0.6373 NPC475350
Remote Similarity 0.6373 NPC145178
Remote Similarity 0.6373 NPC14877
Remote Similarity 0.637 NPC2265
Remote Similarity 0.6368 NPC143325
Remote Similarity 0.6358 NPC186617

Drug Structure

External Identifiers

TTD  
DrugBank   DB08795
ChEMBL   CHEMBL2105907
IUPHAR/BPS  
PharmaGKB   PA165958414
KEGG Drug  
PubChem CID  
ChEBI   51758
CAS Number  17243-38-8

Drug Properties

Molecular Weight  375.10
ALogP  -2.5771
MLogP  2.12
XLogP  2.287
HDA  8
HBD  2
Rotatable Bonds  9
TPSA  127.86
RO5 Violation  0