Drug Information

Drug ID:  NPD4646
Drug Name:  Bacampicillin Hydrochloride
Molecular Formula:  C21H27N3O7S.ClH
Canonical SMILES:  CCOC(=O)OC(OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=C([C@@H](c1ccccc1)N)O)C.Cl
Standard InCHI:  InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1
Standard InCHIKey:  IWVTXAGTHUECPN-ANBBSHPLSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4646

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 0.9291 NPC468984
Intermediate Similarity 0.8411 NPC13470
Intermediate Similarity 0.7677 NPC322878
Intermediate Similarity 0.7651 NPC315388
Intermediate Similarity 0.7584 NPC300315
Intermediate Similarity 0.7532 NPC105717
Intermediate Similarity 0.7403 NPC471264
Intermediate Similarity 0.7403 NPC471265
Intermediate Similarity 0.7372 NPC269398
Intermediate Similarity 0.7372 NPC263493
Intermediate Similarity 0.7368 NPC318930
Intermediate Similarity 0.7368 NPC317362
Intermediate Similarity 0.7368 NPC317725
Intermediate Similarity 0.7368 NPC326407
Intermediate Similarity 0.7346 NPC286551
Intermediate Similarity 0.7267 NPC283783
Intermediate Similarity 0.7244 NPC178662
Intermediate Similarity 0.7244 NPC92784
Intermediate Similarity 0.7244 NPC89489
Intermediate Similarity 0.7244 NPC470884
Intermediate Similarity 0.7244 NPC98424
Intermediate Similarity 0.7244 NPC476133
Intermediate Similarity 0.7233 NPC209509
Intermediate Similarity 0.7233 NPC471680
Intermediate Similarity 0.7215 NPC161069
Intermediate Similarity 0.7181 NPC6975
Intermediate Similarity 0.7179 NPC127741
Intermediate Similarity 0.717 NPC315283
Intermediate Similarity 0.717 NPC314388
Intermediate Similarity 0.7162 NPC202521
Intermediate Similarity 0.7143 NPC329761
Intermediate Similarity 0.7143 NPC225648
Intermediate Similarity 0.7143 NPC145113
Intermediate Similarity 0.7125 NPC313867
Intermediate Similarity 0.7125 NPC5620
Intermediate Similarity 0.7125 NPC315266
Intermediate Similarity 0.7125 NPC316008
Intermediate Similarity 0.7117 NPC475168
Intermediate Similarity 0.7117 NPC7817
Intermediate Similarity 0.7095 NPC476990
Intermediate Similarity 0.7081 NPC314358
Intermediate Similarity 0.707 NPC68865
Intermediate Similarity 0.7063 NPC476978
Intermediate Similarity 0.7063 NPC52748
Intermediate Similarity 0.7055 NPC2501
Intermediate Similarity 0.7047 NPC71684
Intermediate Similarity 0.7037 NPC138775
Intermediate Similarity 0.7032 NPC246079
Intermediate Similarity 0.7 NPC252878
Intermediate Similarity 0.7 NPC139326
Remote Similarity 0.6994 NPC471820
Remote Similarity 0.6994 NPC471821
Remote Similarity 0.6988 NPC470902
Remote Similarity 0.6981 NPC239762
Remote Similarity 0.6981 NPC163392
Remote Similarity 0.6968 NPC130309
Remote Similarity 0.6954 NPC46427
Remote Similarity 0.6951 NPC129666
Remote Similarity 0.6939 NPC470544
Remote Similarity 0.6937 NPC168113
Remote Similarity 0.6937 NPC469426
Remote Similarity 0.6937 NPC469427
Remote Similarity 0.6928 NPC122590
Remote Similarity 0.6908 NPC22746
Remote Similarity 0.6894 NPC176226
Remote Similarity 0.6894 NPC197682
Remote Similarity 0.6892 NPC470545
Remote Similarity 0.6871 NPC262077
Remote Similarity 0.6871 NPC81026
Remote Similarity 0.6868 NPC4910
Remote Similarity 0.6868 NPC329731
Remote Similarity 0.6867 NPC200964
Remote Similarity 0.6867 NPC162104
Remote Similarity 0.6864 NPC197743
Remote Similarity 0.6864 NPC297145
Remote Similarity 0.6863 NPC101719
Remote Similarity 0.6846 NPC470546
Remote Similarity 0.6839 NPC473322
Remote Similarity 0.6835 NPC248283
Remote Similarity 0.6829 NPC311658
Remote Similarity 0.6826 NPC473341
Remote Similarity 0.6813 NPC132636
Remote Similarity 0.681 NPC266741
Remote Similarity 0.6797 NPC222466
Remote Similarity 0.6793 NPC329961
Remote Similarity 0.6793 NPC122427
Remote Similarity 0.6788 NPC240848
Remote Similarity 0.6774 NPC319766
Remote Similarity 0.6772 NPC287401
Remote Similarity 0.677 NPC476259
Remote Similarity 0.6757 NPC197470
Remote Similarity 0.6738 NPC184933
Remote Similarity 0.6738 NPC59827
Remote Similarity 0.673 NPC141050
Remote Similarity 0.6727 NPC128237
Remote Similarity 0.6727 NPC135121
Remote Similarity 0.6727 NPC83790
Remote Similarity 0.6711 NPC285926
Remote Similarity 0.6711 NPC239357
Remote Similarity 0.6711 NPC14672
Remote Similarity 0.6711 NPC315276
Remote Similarity 0.6707 NPC201244
Remote Similarity 0.6707 NPC477217
Remote Similarity 0.6705 NPC475204
Remote Similarity 0.6705 NPC475123
Remote Similarity 0.6687 NPC77905
Remote Similarity 0.6686 NPC471527
Remote Similarity 0.6667 NPC307357
Remote Similarity 0.6667 NPC477526
Remote Similarity 0.6667 NPC46098
Remote Similarity 0.6667 NPC323336
Remote Similarity 0.6667 NPC326349
Remote Similarity 0.6667 NPC472923
Remote Similarity 0.6667 NPC268841
Remote Similarity 0.6647 NPC469903
Remote Similarity 0.6646 NPC255447
Remote Similarity 0.6645 NPC302169
Remote Similarity 0.6632 NPC477527
Remote Similarity 0.6631 NPC165538
Remote Similarity 0.6628 NPC1390
Remote Similarity 0.6628 NPC62104
Remote Similarity 0.6624 NPC111428
Remote Similarity 0.6624 NPC469666
Remote Similarity 0.6623 NPC474082
Remote Similarity 0.6623 NPC175726
Remote Similarity 0.6622 NPC276949
Remote Similarity 0.6622 NPC35850
Remote Similarity 0.6605 NPC477557
Remote Similarity 0.6597 NPC327481
Remote Similarity 0.6588 NPC39431
Remote Similarity 0.6577 NPC33742
Remote Similarity 0.6571 NPC22883
Remote Similarity 0.6571 NPC210377
Remote Similarity 0.6571 NPC63931
Remote Similarity 0.6571 NPC5719
Remote Similarity 0.6571 NPC217804
Remote Similarity 0.657 NPC324850
Remote Similarity 0.6568 NPC300443
Remote Similarity 0.6556 NPC169328
Remote Similarity 0.6554 NPC474584
Remote Similarity 0.6538 NPC153554
Remote Similarity 0.6534 NPC15068
Remote Similarity 0.6517 NPC46009
Remote Similarity 0.6513 NPC237420
Remote Similarity 0.6513 NPC310467
Remote Similarity 0.6513 NPC314992
Remote Similarity 0.6503 NPC77992
Remote Similarity 0.65 NPC471165
Remote Similarity 0.6497 NPC63040
Remote Similarity 0.6494 NPC469902
Remote Similarity 0.6494 NPC469901
Remote Similarity 0.649 NPC2265
Remote Similarity 0.6486 NPC329011
Remote Similarity 0.648 NPC89831
Remote Similarity 0.6478 NPC200589
Remote Similarity 0.6477 NPC189116
Remote Similarity 0.6461 NPC473000
Remote Similarity 0.6444 NPC137627
Remote Similarity 0.6441 NPC61004
Remote Similarity 0.6437 NPC469898
Remote Similarity 0.6433 NPC4974
Remote Similarity 0.6433 NPC262166
Remote Similarity 0.6424 NPC101139
Remote Similarity 0.6419 NPC319579
Remote Similarity 0.6413 NPC477637
Remote Similarity 0.6412 NPC324081
Remote Similarity 0.6409 NPC26108
Remote Similarity 0.6409 NPC477462
Remote Similarity 0.6402 NPC287358
Remote Similarity 0.6398 NPC246913
Remote Similarity 0.6398 NPC325479
Remote Similarity 0.6398 NPC299806
Remote Similarity 0.6392 NPC477937
Remote Similarity 0.6392 NPC136453
Remote Similarity 0.6389 NPC164859
Remote Similarity 0.6382 NPC145178
Remote Similarity 0.6382 NPC475350
Remote Similarity 0.6382 NPC14877
Remote Similarity 0.6358 NPC476268
Remote Similarity 0.6358 NPC244509
Remote Similarity 0.6358 NPC473580
Remote Similarity 0.6354 NPC273755
Remote Similarity 0.6354 NPC248670
Remote Similarity 0.6354 NPC306804
Remote Similarity 0.6352 NPC89923
Remote Similarity 0.6352 NPC71933
Remote Similarity 0.6352 NPC239990
Remote Similarity 0.6352 NPC105114
Remote Similarity 0.6352 NPC152850
Remote Similarity 0.6343 NPC24617
Remote Similarity 0.6337 NPC56685
Remote Similarity 0.6333 NPC40234
Remote Similarity 0.6331 NPC16188
Remote Similarity 0.6329 NPC474847
Remote Similarity 0.6328 NPC471053
Remote Similarity 0.6328 NPC471052
Remote Similarity 0.6328 NPC471051
Remote Similarity 0.6325 NPC476989
Remote Similarity 0.6323 NPC477061
Remote Similarity 0.6323 NPC45777

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  465.16
ALogP  0.5739
MLogP  2.56
XLogP  3.164
HDA  10
HBD  2
Rotatable Bonds  16
TPSA  166.05
RO5 Violation  0