Drug Information

Drug ID:  NPD3350
Drug Name:  Oxacillin Sodium
Molecular Formula:  C19H19N3O5S.Na
Canonical SMILES:  OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=C(c1c(C)onc1c1ccccc1)[O-].[Na+]
Standard InCHI:  InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1
Standard InCHIKey:  VDUVBBMAXXHEQP-SLINCCQESA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3350

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 0.7117 NPC478141
Remote Similarity 0.6919 NPC315388
Remote Similarity 0.6791 NPC468984
Remote Similarity 0.6754 NPC13470
Remote Similarity 0.6736 NPC264400
Remote Similarity 0.6724 NPC477516
Remote Similarity 0.6683 NPC189116
Remote Similarity 0.6667 NPC194740
Remote Similarity 0.6624 NPC477585
Remote Similarity 0.6624 NPC477590
Remote Similarity 0.6624 NPC477588
Remote Similarity 0.6624 NPC477586
Remote Similarity 0.6584 NPC315893
Remote Similarity 0.6584 NPC316110
Remote Similarity 0.6584 NPC313587
Remote Similarity 0.6577 NPC475350
Remote Similarity 0.6577 NPC145178
Remote Similarity 0.6577 NPC14877
Remote Similarity 0.656 NPC471944
Remote Similarity 0.654 NPC477589
Remote Similarity 0.654 NPC477587
Remote Similarity 0.6511 NPC475196
Remote Similarity 0.6489 NPC251036
Remote Similarity 0.6463 NPC475609
Remote Similarity 0.6404 NPC322064
Remote Similarity 0.6392 NPC128237
Remote Similarity 0.6392 NPC83790
Remote Similarity 0.6385 NPC329731
Remote Similarity 0.6348 NPC303658
Remote Similarity 0.6333 NPC39822
Remote Similarity 0.6323 NPC472259
Remote Similarity 0.6321 NPC302235
Remote Similarity 0.632 NPC313804
Remote Similarity 0.632 NPC315804
Remote Similarity 0.632 NPC269270
Remote Similarity 0.6308 NPC4910
Remote Similarity 0.6305 NPC133470
Remote Similarity 0.6305 NPC289776
Remote Similarity 0.6305 NPC191863
Remote Similarity 0.6293 NPC14686
Remote Similarity 0.629 NPC153400
Remote Similarity 0.6282 NPC314633
Remote Similarity 0.6278 NPC75498
Remote Similarity 0.6271 NPC186351
Remote Similarity 0.6267 NPC165538
Remote Similarity 0.6261 NPC14288
Remote Similarity 0.6256 NPC472540
Remote Similarity 0.6256 NPC472539
Remote Similarity 0.6256 NPC470787
Remote Similarity 0.625 NPC122427
Remote Similarity 0.6245 NPC74562
Remote Similarity 0.6245 NPC151781
Remote Similarity 0.6245 NPC316181
Remote Similarity 0.6234 NPC79386
Remote Similarity 0.6229 NPC24370
Remote Similarity 0.6229 NPC214142
Remote Similarity 0.6229 NPC319232
Remote Similarity 0.6227 NPC472541
Remote Similarity 0.6227 NPC472542
Remote Similarity 0.6221 NPC117244
Remote Similarity 0.6221 NPC473763
Remote Similarity 0.6218 NPC322135
Remote Similarity 0.6215 NPC282103
Remote Similarity 0.621 NPC184933
Remote Similarity 0.621 NPC59827
Remote Similarity 0.6208 NPC220852
Remote Similarity 0.6208 NPC284888
Remote Similarity 0.6205 NPC317572
Remote Similarity 0.6205 NPC143325
Remote Similarity 0.6205 NPC295548
Remote Similarity 0.6203 NPC315411
Remote Similarity 0.6203 NPC261251
Remote Similarity 0.6203 NPC118559
Remote Similarity 0.6203 NPC124920
Remote Similarity 0.6203 NPC34580
Remote Similarity 0.6203 NPC304307
Remote Similarity 0.6199 NPC474916
Remote Similarity 0.6199 NPC472284
Remote Similarity 0.6198 NPC184680
Remote Similarity 0.6195 NPC270918
Remote Similarity 0.6195 NPC471155
Remote Similarity 0.6193 NPC56170
Remote Similarity 0.6188 NPC98864
Remote Similarity 0.6182 NPC472116
Remote Similarity 0.6176 NPC100547
Remote Similarity 0.6175 NPC329961
Remote Similarity 0.6174 NPC207866
Remote Similarity 0.6173 NPC470785
Remote Similarity 0.6173 NPC470784
Remote Similarity 0.6173 NPC474183
Remote Similarity 0.6172 NPC314056
Remote Similarity 0.6168 NPC470003
Remote Similarity 0.6167 NPC196718
Remote Similarity 0.6167 NPC270241
Remote Similarity 0.6164 NPC244425
Remote Similarity 0.6164 NPC15384
Remote Similarity 0.6162 NPC254798
Remote Similarity 0.6157 NPC315061
Remote Similarity 0.6157 NPC238242
Remote Similarity 0.6154 NPC128115
Remote Similarity 0.6151 NPC223409
Remote Similarity 0.6151 NPC95240
Remote Similarity 0.615 NPC225400
Remote Similarity 0.615 NPC202198
Remote Similarity 0.615 NPC246303
Remote Similarity 0.6147 NPC477979
Remote Similarity 0.6143 NPC470548
Remote Similarity 0.6135 NPC244543
Remote Similarity 0.6133 NPC476098
Remote Similarity 0.6132 NPC184225
Remote Similarity 0.6132 NPC285343
Remote Similarity 0.613 NPC110182
Remote Similarity 0.6126 NPC477527
Remote Similarity 0.6126 NPC248782
Remote Similarity 0.6123 NPC470786
Remote Similarity 0.6123 NPC472538
Remote Similarity 0.612 NPC181081
Remote Similarity 0.6119 NPC204970
Remote Similarity 0.6114 NPC475607
Remote Similarity 0.6103 NPC91179
Remote Similarity 0.6102 NPC220851
Remote Similarity 0.6101 NPC144381
Remote Similarity 0.61 NPC102593
Remote Similarity 0.61 NPC321592
Remote Similarity 0.61 NPC478013
Remote Similarity 0.61 NPC54803
Remote Similarity 0.6098 NPC27904
Remote Similarity 0.6094 NPC305984
Remote Similarity 0.6089 NPC57398
Remote Similarity 0.6085 NPC272174
Remote Similarity 0.6085 NPC474081
Remote Similarity 0.6085 NPC323969
Remote Similarity 0.6083 NPC473815
Remote Similarity 0.6083 NPC326363
Remote Similarity 0.6079 NPC472287
Remote Similarity 0.6079 NPC472286
Remote Similarity 0.6078 NPC314817
Remote Similarity 0.6078 NPC316297
Remote Similarity 0.6078 NPC66191
Remote Similarity 0.6076 NPC229893
Remote Similarity 0.6075 NPC270301
Remote Similarity 0.6074 NPC323198
Remote Similarity 0.6074 NPC323752
Remote Similarity 0.6074 NPC63279
Remote Similarity 0.6073 NPC477526
Remote Similarity 0.607 NPC262166
Remote Similarity 0.6068 NPC476231
Remote Similarity 0.6066 NPC317362
Remote Similarity 0.6066 NPC318930
Remote Similarity 0.6066 NPC28945
Remote Similarity 0.6066 NPC475594
Remote Similarity 0.6061 NPC16188
Remote Similarity 0.6059 NPC474896
Remote Similarity 0.6056 NPC475761
Remote Similarity 0.6055 NPC221873
Remote Similarity 0.6054 NPC306376
Remote Similarity 0.6052 NPC470002
Remote Similarity 0.6052 NPC470001
Remote Similarity 0.6049 NPC33064
Remote Similarity 0.6049 NPC297642
Remote Similarity 0.6049 NPC182222
Remote Similarity 0.6049 NPC245055
Remote Similarity 0.6047 NPC167763
Remote Similarity 0.6047 NPC470903
Remote Similarity 0.6047 NPC243058
Remote Similarity 0.6047 NPC470112
Remote Similarity 0.6041 NPC471680
Remote Similarity 0.6039 NPC472923
Remote Similarity 0.6037 NPC150308
Remote Similarity 0.6035 NPC257511
Remote Similarity 0.6034 NPC31097
Remote Similarity 0.6028 NPC153554
Remote Similarity 0.6027 NPC471195
Remote Similarity 0.6027 NPC471196
Remote Similarity 0.6027 NPC174629
Remote Similarity 0.6027 NPC293917
Remote Similarity 0.6026 NPC27041
Remote Similarity 0.602 NPC233702
Remote Similarity 0.6019 NPC322644
Remote Similarity 0.6019 NPC241794
Remote Similarity 0.6019 NPC203635
Remote Similarity 0.6018 NPC295898
Remote Similarity 0.601 NPC470822
Remote Similarity 0.6009 NPC90229
Remote Similarity 0.6009 NPC478157
Remote Similarity 0.6009 NPC277350
Remote Similarity 0.6009 NPC278434
Remote Similarity 0.6008 NPC478012
Remote Similarity 0.6008 NPC316224
Remote Similarity 0.6008 NPC141053
Remote Similarity 0.6008 NPC478011
Remote Similarity 0.6 NPC161801
Remote Similarity 0.6 NPC478158
Remote Similarity 0.6 NPC129909
Remote Similarity 0.6 NPC61038
Remote Similarity 0.5992 NPC148889
Remote Similarity 0.5991 NPC326407
Remote Similarity 0.5991 NPC317725
Remote Similarity 0.5991 NPC96016
Remote Similarity 0.5991 NPC294693

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  400.10
ALogP  -0.3459
MLogP  2.56
XLogP  3.083
HDA  6
HBD  1
Rotatable Bonds  9
TPSA  144.36
RO5 Violation  0