Drug Information

Drug ID:  NPD3307
Drug Name:  Cloxacillin Sodium
Molecular Formula:  C19H18ClN3O5S.Na.H2O
Canonical SMILES:  OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=C(c1c(C)onc1c1ccccc1Cl)[O-].O.[Na+]
Standard InCHI:  InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
Standard InCHIKey:  KCUWTKOTPIUBRI-VICXVTCVSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3307

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
Remote Similarity 0.6781 NPC478141
Remote Similarity 0.6555 NPC315388
Remote Similarity 0.642 NPC477516
Remote Similarity 0.6414 NPC468984
Remote Similarity 0.6386 NPC13470
Remote Similarity 0.6373 NPC264400
Remote Similarity 0.6364 NPC194740
Remote Similarity 0.6333 NPC189116
Remote Similarity 0.6331 NPC477590
Remote Similarity 0.6331 NPC477585
Remote Similarity 0.6331 NPC477586
Remote Similarity 0.6331 NPC477588
Remote Similarity 0.6327 NPC323198
Remote Similarity 0.6299 NPC316110
Remote Similarity 0.6299 NPC315893
Remote Similarity 0.6299 NPC313587
Remote Similarity 0.6266 NPC475350
Remote Similarity 0.6266 NPC14877
Remote Similarity 0.6266 NPC145178
Remote Similarity 0.625 NPC477587
Remote Similarity 0.625 NPC477589
Remote Similarity 0.6245 NPC471944
Remote Similarity 0.6245 NPC119006
Remote Similarity 0.622 NPC475196
Remote Similarity 0.6186 NPC251036
Remote Similarity 0.6167 NPC475609
Remote Similarity 0.6145 NPC35042
Remote Similarity 0.6109 NPC322064
Remote Similarity 0.6071 NPC329731
Remote Similarity 0.6058 NPC303658
Remote Similarity 0.6049 NPC128237
Remote Similarity 0.6049 NPC83790
Remote Similarity 0.6033 NPC315804
Remote Similarity 0.6033 NPC313804
Remote Similarity 0.6033 NPC269270
Remote Similarity 0.6026 NPC472259
Remote Similarity 0.6023 NPC153400
Remote Similarity 0.6018 NPC39822
Remote Similarity 0.6009 NPC302235
Remote Similarity 0.6008 NPC14686
Remote Similarity 0.6 NPC4910
Remote Similarity 0.6 NPC314633
Remote Similarity 0.5992 NPC186351
Remote Similarity 0.5984 NPC14288
Remote Similarity 0.5983 NPC75498
Remote Similarity 0.5981 NPC191863
Remote Similarity 0.5981 NPC133470
Remote Similarity 0.5981 NPC289776
Remote Similarity 0.5965 NPC165538
Remote Similarity 0.5958 NPC74562
Remote Similarity 0.5958 NPC151781
Remote Similarity 0.5958 NPC316181
Remote Similarity 0.5957 NPC470787
Remote Similarity 0.5957 NPC472540
Remote Similarity 0.5957 NPC315411
Remote Similarity 0.5957 NPC472539
Remote Similarity 0.5951 NPC214142
Remote Similarity 0.5951 NPC319232
Remote Similarity 0.5951 NPC24370
Remote Similarity 0.595 NPC79386
Remote Similarity 0.5947 NPC122427
Remote Similarity 0.5944 NPC322135
Remote Similarity 0.5936 NPC220852
Remote Similarity 0.5936 NPC284888
Remote Similarity 0.5931 NPC472541
Remote Similarity 0.5931 NPC472542
Remote Similarity 0.5929 NPC184680
Remote Similarity 0.5929 NPC240384
Remote Similarity 0.5927 NPC118559
Remote Similarity 0.5927 NPC304307
Remote Similarity 0.5927 NPC124920
Remote Similarity 0.5927 NPC34580
Remote Similarity 0.5927 NPC261251
Remote Similarity 0.5921 NPC117244
Remote Similarity 0.5921 NPC473763
Remote Similarity 0.592 NPC300114
Remote Similarity 0.5918 NPC314056
Remote Similarity 0.5915 NPC317572
Remote Similarity 0.5915 NPC143325
Remote Similarity 0.5915 NPC295548
Remote Similarity 0.5914 NPC315061
Remote Similarity 0.5913 NPC184933
Remote Similarity 0.5913 NPC59827
Remote Similarity 0.5911 NPC282103
Remote Similarity 0.5907 NPC471155
Remote Similarity 0.5907 NPC270918
Remote Similarity 0.5906 NPC470785
Remote Similarity 0.5906 NPC470784
Remote Similarity 0.5906 NPC474183
Remote Similarity 0.5905 NPC474916
Remote Similarity 0.5905 NPC472284
Remote Similarity 0.5904 NPC100547
Remote Similarity 0.5897 NPC98864
Remote Similarity 0.5896 NPC196718
Remote Similarity 0.5895 NPC56170
Remote Similarity 0.5892 NPC207866
Remote Similarity 0.5887 NPC472116
Remote Similarity 0.5885 NPC15384
Remote Similarity 0.5885 NPC244425
Remote Similarity 0.5882 NPC270241
Remote Similarity 0.588 NPC95240
Remote Similarity 0.588 NPC223409
Remote Similarity 0.5878 NPC128115
Remote Similarity 0.5878 NPC244543
Remote Similarity 0.5877 NPC329961
Remote Similarity 0.5868 NPC477979
Remote Similarity 0.5867 NPC470003
Remote Similarity 0.5866 NPC285343
Remote Similarity 0.5866 NPC177056
Remote Similarity 0.5866 NPC184225
Remote Similarity 0.5865 NPC225400
Remote Similarity 0.5865 NPC246303
Remote Similarity 0.5862 NPC181081
Remote Similarity 0.5859 NPC238242
Remote Similarity 0.5852 NPC478013
Remote Similarity 0.5851 NPC110182
Remote Similarity 0.5847 NPC476098
Remote Similarity 0.584 NPC470786
Remote Similarity 0.584 NPC472538
Remote Similarity 0.5839 NPC169716
Remote Similarity 0.5837 NPC254798
Remote Similarity 0.5837 NPC470548
Remote Similarity 0.5837 NPC248782
Remote Similarity 0.5837 NPC477527
Remote Similarity 0.5833 NPC321592
Remote Similarity 0.5833 NPC54803
Remote Similarity 0.5833 NPC102593
Remote Similarity 0.583 NPC220851
Remote Similarity 0.5829 NPC202198
Remote Similarity 0.5826 NPC204970
Remote Similarity 0.5822 NPC471785
Remote Similarity 0.582 NPC305984
Remote Similarity 0.5817 NPC326363
Remote Similarity 0.5813 NPC272174
Remote Similarity 0.5813 NPC323969
Remote Similarity 0.5811 NPC475607
Remote Similarity 0.581 NPC63279
Remote Similarity 0.581 NPC323752
Remote Similarity 0.5808 NPC144381
Remote Similarity 0.5806 NPC229893
Remote Similarity 0.5805 NPC57398
Remote Similarity 0.5804 NPC91179
Remote Similarity 0.5804 NPC28945
Remote Similarity 0.5802 NPC66191
Remote Similarity 0.5802 NPC314817
Remote Similarity 0.5802 NPC316297
Remote Similarity 0.5798 NPC472286
Remote Similarity 0.5798 NPC472287
Remote Similarity 0.5794 NPC315062
Remote Similarity 0.5794 NPC267853
Remote Similarity 0.5789 NPC474896
Remote Similarity 0.5789 NPC473815
Remote Similarity 0.5787 NPC182222
Remote Similarity 0.5787 NPC27904
Remote Similarity 0.5787 NPC33064
Remote Similarity 0.5787 NPC297642
Remote Similarity 0.5787 NPC316411
Remote Similarity 0.5787 NPC245055
Remote Similarity 0.5785 NPC474081
Remote Similarity 0.5783 NPC477526
Remote Similarity 0.5779 NPC470001
Remote Similarity 0.5779 NPC470002
Remote Similarity 0.5778 NPC270301
Remote Similarity 0.5771 NPC244897
Remote Similarity 0.5769 NPC306376
Remote Similarity 0.5766 NPC317362
Remote Similarity 0.5766 NPC318930
Remote Similarity 0.5766 NPC478011
Remote Similarity 0.5766 NPC31097
Remote Similarity 0.5766 NPC478012
Remote Similarity 0.5766 NPC475594
Remote Similarity 0.5764 NPC221873
Remote Similarity 0.576 NPC476231
Remote Similarity 0.5759 NPC475761
Remote Similarity 0.5756 NPC257511
Remote Similarity 0.5755 NPC27041
Remote Similarity 0.5755 NPC262166
Remote Similarity 0.5753 NPC209463
Remote Similarity 0.5753 NPC316224
Remote Similarity 0.5752 NPC470112
Remote Similarity 0.5752 NPC470903
Remote Similarity 0.5752 NPC243058
Remote Similarity 0.5752 NPC167763
Remote Similarity 0.5748 NPC141053
Remote Similarity 0.5747 NPC161801
Remote Similarity 0.5746 NPC150308
Remote Similarity 0.5745 NPC293917
Remote Similarity 0.5745 NPC314176
Remote Similarity 0.5742 NPC16188
Remote Similarity 0.5739 NPC471196
Remote Similarity 0.5739 NPC471195
Remote Similarity 0.5739 NPC174629
Remote Similarity 0.5738 NPC295898
Remote Similarity 0.5738 NPC478157
Remote Similarity 0.5737 NPC192712
Remote Similarity 0.5736 NPC148889
Remote Similarity 0.5734 NPC472923
Remote Similarity 0.5733 NPC153554
Remote Similarity 0.5732 NPC277350
Remote Similarity 0.5727 NPC203635

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  434.06
ALogP  0.3984
MLogP  2.45
XLogP  2.757
HDA  6
HBD  1
Rotatable Bonds  10
TPSA  144.36
RO5 Violation  0