Drug Information

Drug ID:  NPD4959
Drug Name:  Cefpirome Sulfate
Molecular Formula:  C22H22N6O5S2.H2O4S
Canonical SMILES:  OS(=O)(=O)O.CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)O
Standard InCHI:  InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1
Standard InCHIKey:  RKTNPKZEPLCLSF-QHBKFCFHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4959

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 0.7931 NPC143325
Intermediate Similarity 0.7115 NPC294693
Remote Similarity 0.6963 NPC182507
Remote Similarity 0.6898 NPC214827
Remote Similarity 0.6898 NPC314930
Remote Similarity 0.6828 NPC476817
Remote Similarity 0.6804 NPC475024
Remote Similarity 0.6798 NPC19170
Remote Similarity 0.6784 NPC478141
Remote Similarity 0.6766 NPC91895
Remote Similarity 0.6749 NPC469938
Remote Similarity 0.6744 NPC313421
Remote Similarity 0.6743 NPC473376
Remote Similarity 0.6741 NPC177996
Remote Similarity 0.6741 NPC147983
Remote Similarity 0.6732 NPC11126
Remote Similarity 0.6719 NPC13470
Remote Similarity 0.671 NPC297862
Remote Similarity 0.6683 NPC228835
Remote Similarity 0.6682 NPC31385
Remote Similarity 0.6682 NPC110602
Remote Similarity 0.6682 NPC75726
Remote Similarity 0.6681 NPC64216
Remote Similarity 0.6667 NPC293917
Remote Similarity 0.6651 NPC473763
Remote Similarity 0.6651 NPC117244
Remote Similarity 0.6638 NPC253987
Remote Similarity 0.6619 NPC94752
Remote Similarity 0.6618 NPC24864
Remote Similarity 0.6603 NPC470003
Remote Similarity 0.6603 NPC165495
Remote Similarity 0.6596 NPC63279
Remote Similarity 0.6588 NPC17059
Remote Similarity 0.6584 NPC41717
Remote Similarity 0.6584 NPC478030
Remote Similarity 0.6578 NPC54744
Remote Similarity 0.6568 NPC297642
Remote Similarity 0.656 NPC470497
Remote Similarity 0.6557 NPC213629
Remote Similarity 0.6553 NPC89987
Remote Similarity 0.6545 NPC476252
Remote Similarity 0.6544 NPC470499
Remote Similarity 0.6538 NPC16659
Remote Similarity 0.6522 NPC248454
Remote Similarity 0.6522 NPC473380
Remote Similarity 0.6522 NPC240088
Remote Similarity 0.652 NPC470732
Remote Similarity 0.652 NPC470731
Remote Similarity 0.6516 NPC477630
Remote Similarity 0.6516 NPC477635
Remote Similarity 0.6505 NPC469529
Remote Similarity 0.6494 NPC327095
Remote Similarity 0.6494 NPC312942
Remote Similarity 0.6493 NPC280290
Remote Similarity 0.649 NPC265710
Remote Similarity 0.6485 NPC478182
Remote Similarity 0.6476 NPC163055
Remote Similarity 0.6468 NPC248782
Remote Similarity 0.6468 NPC473640
Remote Similarity 0.6468 NPC212213
Remote Similarity 0.6468 NPC476143
Remote Similarity 0.6468 NPC314056
Remote Similarity 0.6466 NPC40455
Remote Similarity 0.646 NPC471194
Remote Similarity 0.646 NPC153980
Remote Similarity 0.646 NPC6865
Remote Similarity 0.646 NPC471193
Remote Similarity 0.6455 NPC98864
Remote Similarity 0.6447 NPC471192
Remote Similarity 0.6442 NPC14325
Remote Similarity 0.6442 NPC28848
Remote Similarity 0.6441 NPC469563
Remote Similarity 0.6435 NPC315804
Remote Similarity 0.6435 NPC313804
Remote Similarity 0.6422 NPC49217
Remote Similarity 0.642 NPC478012
Remote Similarity 0.642 NPC478011
Remote Similarity 0.6419 NPC129909
Remote Similarity 0.6416 NPC320968
Remote Similarity 0.6416 NPC72956
Remote Similarity 0.6414 NPC472260
Remote Similarity 0.6404 NPC478184
Remote Similarity 0.64 NPC478158
Remote Similarity 0.6395 NPC314176
Remote Similarity 0.6394 NPC476419
Remote Similarity 0.6393 NPC171317
Remote Similarity 0.6393 NPC239954
Remote Similarity 0.6392 NPC478013
Remote Similarity 0.6388 NPC75634
Remote Similarity 0.6384 NPC316403
Remote Similarity 0.638 NPC475506
Remote Similarity 0.638 NPC300183
Remote Similarity 0.6372 NPC220594
Remote Similarity 0.6372 NPC469562
Remote Similarity 0.6368 NPC207851
Remote Similarity 0.6364 NPC83774
Remote Similarity 0.6364 NPC100321
Remote Similarity 0.6364 NPC192674
Remote Similarity 0.6359 NPC198673
Remote Similarity 0.6359 NPC32534
Remote Similarity 0.6352 NPC155444
Remote Similarity 0.6351 NPC155143
Remote Similarity 0.635 NPC209362
Remote Similarity 0.6348 NPC477416
Remote Similarity 0.6348 NPC79386
Remote Similarity 0.6345 NPC477516
Remote Similarity 0.6345 NPC165743
Remote Similarity 0.6344 NPC54981
Remote Similarity 0.6337 NPC293487
Remote Similarity 0.6335 NPC328029
Remote Similarity 0.6333 NPC12649
Remote Similarity 0.6332 NPC478157
Remote Similarity 0.6329 NPC273532
Remote Similarity 0.6324 NPC162268
Remote Similarity 0.632 NPC281049
Remote Similarity 0.6318 NPC168911
Remote Similarity 0.6311 NPC323927
Remote Similarity 0.6308 NPC469359
Remote Similarity 0.6308 NPC476527
Remote Similarity 0.6308 NPC311858
Remote Similarity 0.6303 NPC61011
Remote Similarity 0.6303 NPC314281
Remote Similarity 0.6303 NPC40530
Remote Similarity 0.6303 NPC475969
Remote Similarity 0.6303 NPC474877
Remote Similarity 0.6303 NPC73994
Remote Similarity 0.6303 NPC91179
Remote Similarity 0.6303 NPC475859
Remote Similarity 0.6302 NPC65408
Remote Similarity 0.63 NPC312860
Remote Similarity 0.63 NPC200214
Remote Similarity 0.6298 NPC477976
Remote Similarity 0.6296 NPC471322
Remote Similarity 0.6295 NPC473239
Remote Similarity 0.6291 NPC46895
Remote Similarity 0.629 NPC123395
Remote Similarity 0.629 NPC103361
Remote Similarity 0.6287 NPC299594
Remote Similarity 0.6283 NPC469578
Remote Similarity 0.6278 NPC57398
Remote Similarity 0.6275 NPC225018
Remote Similarity 0.6271 NPC319232
Remote Similarity 0.6271 NPC24370
Remote Similarity 0.6266 NPC478028
Remote Similarity 0.6265 NPC153400
Remote Similarity 0.6263 NPC477974
Remote Similarity 0.6262 NPC470509
Remote Similarity 0.6262 NPC478183
Remote Similarity 0.6262 NPC311282
Remote Similarity 0.6261 NPC477175
Remote Similarity 0.6261 NPC470729
Remote Similarity 0.6261 NPC470730
Remote Similarity 0.6261 NPC477176
Remote Similarity 0.6256 NPC135950
Remote Similarity 0.625 NPC29702
Remote Similarity 0.6245 NPC186351
Remote Similarity 0.6244 NPC469813
Remote Similarity 0.6244 NPC78375
Remote Similarity 0.6244 NPC476446
Remote Similarity 0.6239 NPC54420
Remote Similarity 0.6237 NPC468984
Remote Similarity 0.6234 NPC477177
Remote Similarity 0.6233 NPC471944
Remote Similarity 0.6232 NPC315388
Remote Similarity 0.6225 NPC313587
Remote Similarity 0.6225 NPC315893
Remote Similarity 0.6225 NPC316110
Remote Similarity 0.6222 NPC88115
Remote Similarity 0.6221 NPC329961
Remote Similarity 0.6221 NPC122427
Remote Similarity 0.6219 NPC281094
Remote Similarity 0.6218 NPC56109
Remote Similarity 0.6218 NPC191382
Remote Similarity 0.6214 NPC477975
Remote Similarity 0.6214 NPC478029
Remote Similarity 0.6211 NPC71238
Remote Similarity 0.6211 NPC266249
Remote Similarity 0.6211 NPC256893
Remote Similarity 0.6211 NPC476524
Remote Similarity 0.6209 NPC68354
Remote Similarity 0.6207 NPC213914
Remote Similarity 0.6207 NPC212742
Remote Similarity 0.6205 NPC106757
Remote Similarity 0.6195 NPC478185
Remote Similarity 0.6194 NPC477420
Remote Similarity 0.6194 NPC477418
Remote Similarity 0.6193 NPC210123
Remote Similarity 0.6188 NPC263455
Remote Similarity 0.6184 NPC223791
Remote Similarity 0.6184 NPC162860
Remote Similarity 0.6184 NPC107077
Remote Similarity 0.6179 NPC248041
Remote Similarity 0.6179 NPC283219
Remote Similarity 0.6179 NPC126709
Remote Similarity 0.6179 NPC248462
Remote Similarity 0.6178 NPC138562
Remote Similarity 0.6176 NPC476491
Remote Similarity 0.6176 NPC244536
Remote Similarity 0.6175 NPC314882
Remote Similarity 0.6175 NPC182814

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  514.11
ALogP  -2.6586
MLogP  2.45
XLogP  2.222
HDA  8
HBD  3
Rotatable Bonds  10
TPSA  204.98
RO5 Violation  0