Drug Information

Drug ID:  NPD2416
Drug Name:  Cephapirin Sodium
Molecular Formula:  C17H17N3O6S2.Na
Canonical SMILES:  [O-]C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1.[Na+]
Standard InCHI:  InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1
Standard InCHIKey:  VGEOUKPOQQEQSX-OALZAMAHSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2416

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 0.8245 NPC143325
Intermediate Similarity 0.7286 NPC314930
Intermediate Similarity 0.7286 NPC214827
Intermediate Similarity 0.7186 NPC182507
Intermediate Similarity 0.7178 NPC475024
Intermediate Similarity 0.7121 NPC313421
Remote Similarity 0.675 NPC294693
Remote Similarity 0.6629 NPC328029
Remote Similarity 0.6575 NPC13470
Remote Similarity 0.6546 NPC14325
Remote Similarity 0.6546 NPC28848
Remote Similarity 0.6545 NPC91895
Remote Similarity 0.6534 NPC29702
Remote Similarity 0.6517 NPC129909
Remote Similarity 0.6517 NPC127647
Remote Similarity 0.6486 NPC107287
Remote Similarity 0.6486 NPC312860
Remote Similarity 0.6474 NPC477975
Remote Similarity 0.6452 NPC263455
Remote Similarity 0.6452 NPC75135
Remote Similarity 0.6432 NPC472260
Remote Similarity 0.6418 NPC182814
Remote Similarity 0.6417 NPC169586
Remote Similarity 0.64 NPC311858
Remote Similarity 0.6398 NPC316403
Remote Similarity 0.6396 NPC24864
Remote Similarity 0.6393 NPC302159
Remote Similarity 0.6382 NPC470003
Remote Similarity 0.6374 NPC471323
Remote Similarity 0.6364 NPC209362
Remote Similarity 0.6354 NPC41717
Remote Similarity 0.6341 NPC135950
Remote Similarity 0.6313 NPC114310
Remote Similarity 0.6313 NPC472288
Remote Similarity 0.6313 NPC65408
Remote Similarity 0.6307 NPC256893
Remote Similarity 0.6305 NPC122427
Remote Similarity 0.6305 NPC329961
Remote Similarity 0.6298 NPC103361
Remote Similarity 0.6298 NPC192674
Remote Similarity 0.6296 NPC213914
Remote Similarity 0.629 NPC478141
Remote Similarity 0.6287 NPC328798
Remote Similarity 0.6276 NPC469938
Remote Similarity 0.627 NPC112741
Remote Similarity 0.627 NPC477974
Remote Similarity 0.6269 NPC318020
Remote Similarity 0.6263 NPC11126
Remote Similarity 0.6262 NPC20593
Remote Similarity 0.6256 NPC61435
Remote Similarity 0.625 NPC478182
Remote Similarity 0.625 NPC161143
Remote Similarity 0.6244 NPC165538
Remote Similarity 0.6231 NPC317010
Remote Similarity 0.623 NPC473706
Remote Similarity 0.6227 NPC313804
Remote Similarity 0.6227 NPC315804
Remote Similarity 0.6219 NPC228835
Remote Similarity 0.6216 NPC253987
Remote Similarity 0.6212 NPC83774
Remote Similarity 0.6205 NPC473901
Remote Similarity 0.6195 NPC473763
Remote Similarity 0.6195 NPC117244
Remote Similarity 0.6181 NPC12649
Remote Similarity 0.6173 NPC273532
Remote Similarity 0.6173 NPC249614
Remote Similarity 0.6172 NPC239954
Remote Similarity 0.6169 NPC325093
Remote Similarity 0.6168 NPC156044
Remote Similarity 0.6163 NPC56856
Remote Similarity 0.6162 NPC167400
Remote Similarity 0.615 NPC73994
Remote Similarity 0.615 NPC61011
Remote Similarity 0.6143 NPC50997
Remote Similarity 0.6143 NPC160127
Remote Similarity 0.6139 NPC46895
Remote Similarity 0.6139 NPC207851
Remote Similarity 0.6136 NPC313823
Remote Similarity 0.6135 NPC198673
Remote Similarity 0.6127 NPC325775
Remote Similarity 0.6114 NPC135488
Remote Similarity 0.6108 NPC159630
Remote Similarity 0.6108 NPC230085
Remote Similarity 0.6106 NPC186351
Remote Similarity 0.6103 NPC475920
Remote Similarity 0.6103 NPC470509
Remote Similarity 0.6101 NPC31385
Remote Similarity 0.6101 NPC110602
Remote Similarity 0.6101 NPC75726
Remote Similarity 0.6098 NPC255909
Remote Similarity 0.6096 NPC105811
Remote Similarity 0.6095 NPC168911
Remote Similarity 0.6095 NPC212213
Remote Similarity 0.6094 NPC293487
Remote Similarity 0.6089 NPC327373
Remote Similarity 0.6089 NPC163055
Remote Similarity 0.6089 NPC19170
Remote Similarity 0.6082 NPC11863
Remote Similarity 0.608 NPC471313
Remote Similarity 0.608 NPC476419
Remote Similarity 0.608 NPC212125
Remote Similarity 0.608 NPC471311
Remote Similarity 0.6078 NPC94752
Remote Similarity 0.6077 NPC109922
Remote Similarity 0.6075 NPC25442
Remote Similarity 0.6075 NPC467188
Remote Similarity 0.6075 NPC12944
Remote Similarity 0.6075 NPC473239
Remote Similarity 0.6071 NPC315388
Remote Similarity 0.6066 NPC123395
Remote Similarity 0.6061 NPC477976
Remote Similarity 0.6051 NPC473886
Remote Similarity 0.605 NPC248454
Remote Similarity 0.6049 NPC206251
Remote Similarity 0.6049 NPC74382
Remote Similarity 0.6049 NPC17059
Remote Similarity 0.6048 NPC272483
Remote Similarity 0.6045 NPC471589
Remote Similarity 0.6042 NPC138018
Remote Similarity 0.6041 NPC116961
Remote Similarity 0.6037 NPC478158
Remote Similarity 0.6036 NPC281049
Remote Similarity 0.603 NPC469529
Remote Similarity 0.6029 NPC280290
Remote Similarity 0.6028 NPC138562
Remote Similarity 0.6027 NPC318299
Remote Similarity 0.602 NPC478183
Remote Similarity 0.6019 NPC248782
Remote Similarity 0.601 NPC322043
Remote Similarity 0.6009 NPC297862
Remote Similarity 0.6009 NPC98864
Remote Similarity 0.6 NPC317752
Remote Similarity 0.6 NPC478184
Remote Similarity 0.6 NPC322488
Remote Similarity 0.5991 NPC293917
Remote Similarity 0.599 NPC469489
Remote Similarity 0.5989 NPC165370
Remote Similarity 0.5982 NPC124636
Remote Similarity 0.598 NPC165495
Remote Similarity 0.5973 NPC64216
Remote Similarity 0.5973 NPC476817
Remote Similarity 0.5969 NPC281094
Remote Similarity 0.5962 NPC79223
Remote Similarity 0.596 NPC32534
Remote Similarity 0.5959 NPC299594
Remote Similarity 0.5955 NPC193370
Remote Similarity 0.5953 NPC75498
Remote Similarity 0.5953 NPC476252
Remote Similarity 0.5949 NPC478185
Remote Similarity 0.5949 NPC71079
Remote Similarity 0.5946 NPC177996
Remote Similarity 0.5946 NPC147983
Remote Similarity 0.5943 NPC290094
Remote Similarity 0.5942 NPC213629
Remote Similarity 0.594 NPC178664
Remote Similarity 0.5936 NPC123839
Remote Similarity 0.5928 NPC316181
Remote Similarity 0.5928 NPC74562
Remote Similarity 0.5928 NPC151781
Remote Similarity 0.5926 NPC469563
Remote Similarity 0.5924 NPC77061
Remote Similarity 0.5922 NPC71236
Remote Similarity 0.5921 NPC24370
Remote Similarity 0.5921 NPC319232
Remote Similarity 0.592 NPC182570
Remote Similarity 0.592 NPC48564
Remote Similarity 0.592 NPC265605
Remote Similarity 0.5918 NPC474217
Remote Similarity 0.5916 NPC70406
Remote Similarity 0.5912 NPC330326
Remote Similarity 0.5907 NPC57398
Remote Similarity 0.5907 NPC316224
Remote Similarity 0.5905 NPC63279
Remote Similarity 0.5901 NPC478157
Remote Similarity 0.5899 NPC306397
Remote Similarity 0.5893 NPC314270
Remote Similarity 0.5892 NPC313587
Remote Similarity 0.5892 NPC315893
Remote Similarity 0.5892 NPC316110
Remote Similarity 0.5892 NPC468984
Remote Similarity 0.589 NPC475350
Remote Similarity 0.589 NPC14877
Remote Similarity 0.589 NPC477548
Remote Similarity 0.589 NPC145178
Remote Similarity 0.5888 NPC85918
Remote Similarity 0.5885 NPC200214
Remote Similarity 0.5885 NPC251391
Remote Similarity 0.5882 NPC251036
Remote Similarity 0.588 NPC297642
Remote Similarity 0.5879 NPC65080
Remote Similarity 0.5877 NPC106235
Remote Similarity 0.5877 NPC239660
Remote Similarity 0.5876 NPC469897
Remote Similarity 0.5874 NPC470731
Remote Similarity 0.5874 NPC96016
Remote Similarity 0.5874 NPC311282
Remote Similarity 0.5874 NPC470732
Remote Similarity 0.5872 NPC297486
Remote Similarity 0.5872 NPC471402
Remote Similarity 0.5872 NPC240136

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  422.05
ALogP  -0.9121
MLogP  2.12
XLogP  -0.079
HDA  9
HBD  1
Rotatable Bonds  11
TPSA  182.82
RO5 Violation  0