Drug Information

Drug ID:  NPD1985
Drug Name:  Cefuroxime Sodium
Molecular Formula:  C16H16N4O8S.Na
Canonical SMILES:  CO/N=C(/c1ccco1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=N)O)[O-].[Na+]
Standard InCHI:  InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9-;/t10-,14-;/m1./s1
Standard InCHIKey:  URDOHUPGIOGTKV-JTBFTWTJSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1985

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 0.6562 NPC315388
Remote Similarity 0.6517 NPC329731
Remote Similarity 0.6436 NPC4910
Remote Similarity 0.6422 NPC477526
Remote Similarity 0.6408 NPC184933
Remote Similarity 0.6408 NPC59827
Remote Similarity 0.6386 NPC292036
Remote Similarity 0.6354 NPC471653
Remote Similarity 0.6316 NPC477527
Remote Similarity 0.629 NPC13470
Remote Similarity 0.6276 NPC473693
Remote Similarity 0.6276 NPC471568
Remote Similarity 0.6262 NPC246303
Remote Similarity 0.6256 NPC299806
Remote Similarity 0.625 NPC475421
Remote Similarity 0.6237 NPC472923
Remote Similarity 0.6237 NPC471646
Remote Similarity 0.6237 NPC471647
Remote Similarity 0.622 NPC108847
Remote Similarity 0.6196 NPC325857
Remote Similarity 0.6193 NPC196091
Remote Similarity 0.6182 NPC66191
Remote Similarity 0.6182 NPC316297
Remote Similarity 0.6182 NPC314817
Remote Similarity 0.618 NPC477590
Remote Similarity 0.618 NPC477586
Remote Similarity 0.618 NPC477588
Remote Similarity 0.618 NPC477585
Remote Similarity 0.6178 NPC320751
Remote Similarity 0.6176 NPC315542
Remote Similarity 0.6158 NPC470903
Remote Similarity 0.6158 NPC470112
Remote Similarity 0.6158 NPC167763
Remote Similarity 0.615 NPC9373
Remote Similarity 0.615 NPC189908
Remote Similarity 0.6142 NPC186617
Remote Similarity 0.6094 NPC477589
Remote Similarity 0.6094 NPC477587
Remote Similarity 0.6085 NPC324081
Remote Similarity 0.6062 NPC471649
Remote Similarity 0.6061 NPC475196
Remote Similarity 0.6056 NPC477645
Remote Similarity 0.6047 NPC21831
Remote Similarity 0.6047 NPC187547
Remote Similarity 0.6027 NPC14877
Remote Similarity 0.6027 NPC145178
Remote Similarity 0.6027 NPC475350
Remote Similarity 0.6011 NPC128237
Remote Similarity 0.6011 NPC83790
Remote Similarity 0.6 NPC471648
Remote Similarity 0.5991 NPC326027
Remote Similarity 0.5982 NPC478005
Remote Similarity 0.598 NPC471651
Remote Similarity 0.5973 NPC326333
Remote Similarity 0.5968 NPC468984
Remote Similarity 0.596 NPC254700
Remote Similarity 0.5946 NPC251036
Remote Similarity 0.593 NPC473502
Remote Similarity 0.5924 NPC472358
Remote Similarity 0.5924 NPC138365
Remote Similarity 0.5892 NPC307682
Remote Similarity 0.5891 NPC248670
Remote Similarity 0.5876 NPC256689
Remote Similarity 0.5876 NPC123011
Remote Similarity 0.587 NPC29650
Remote Similarity 0.5867 NPC287757
Remote Similarity 0.5867 NPC319320
Remote Similarity 0.5852 NPC478141
Remote Similarity 0.5829 NPC63931
Remote Similarity 0.5822 NPC328763
Remote Similarity 0.5819 NPC270807
Remote Similarity 0.5819 NPC174915
Remote Similarity 0.5792 NPC475123
Remote Similarity 0.5792 NPC475204
Remote Similarity 0.5789 NPC128683
Remote Similarity 0.5787 NPC323662
Remote Similarity 0.5784 NPC158277
Remote Similarity 0.5782 NPC471650
Remote Similarity 0.578 NPC11821
Remote Similarity 0.5777 NPC194671
Remote Similarity 0.5777 NPC269750
Remote Similarity 0.5762 NPC276120
Remote Similarity 0.5759 NPC135121
Remote Similarity 0.5758 NPC473194
Remote Similarity 0.5756 NPC8467
Remote Similarity 0.5749 NPC153554
Remote Similarity 0.5747 NPC76844
Remote Similarity 0.5744 NPC39431
Remote Similarity 0.5739 NPC244862
Remote Similarity 0.5739 NPC67345
Remote Similarity 0.5737 NPC477217
Remote Similarity 0.5737 NPC201244
Remote Similarity 0.5734 NPC268170
Remote Similarity 0.5728 NPC473407
Remote Similarity 0.5728 NPC473378
Remote Similarity 0.5727 NPC255861
Remote Similarity 0.5727 NPC93574
Remote Similarity 0.5714 NPC235194
Remote Similarity 0.5714 NPC138083
Remote Similarity 0.5707 NPC26108
Remote Similarity 0.5707 NPC279871
Remote Similarity 0.5707 NPC164608
Remote Similarity 0.5707 NPC471165
Remote Similarity 0.5701 NPC165538
Remote Similarity 0.5698 NPC1811
Remote Similarity 0.5698 NPC26157
Remote Similarity 0.5696 NPC478007
Remote Similarity 0.5693 NPC209463
Remote Similarity 0.5688 NPC123859
Remote Similarity 0.5686 NPC89831
Remote Similarity 0.5682 NPC291619
Remote Similarity 0.5682 NPC254958
Remote Similarity 0.5682 NPC311357
Remote Similarity 0.5681 NPC64140
Remote Similarity 0.5681 NPC122427
Remote Similarity 0.5681 NPC174122
Remote Similarity 0.5676 NPC470392
Remote Similarity 0.5673 NPC32064
Remote Similarity 0.5668 NPC144314
Remote Similarity 0.5667 NPC471050
Remote Similarity 0.5667 NPC471048
Remote Similarity 0.5667 NPC471049
Remote Similarity 0.5662 NPC476661
Remote Similarity 0.5662 NPC242728
Remote Similarity 0.5659 NPC306804
Remote Similarity 0.5659 NPC137627
Remote Similarity 0.5659 NPC273755
Remote Similarity 0.5657 NPC476031
Remote Similarity 0.5657 NPC476014
Remote Similarity 0.5654 NPC248822
Remote Similarity 0.5652 NPC475609
Remote Similarity 0.565 NPC473193
Remote Similarity 0.5647 NPC478008
Remote Similarity 0.5646 NPC477637
Remote Similarity 0.5642 NPC50548
Remote Similarity 0.5637 NPC46009
Remote Similarity 0.5636 NPC476662
Remote Similarity 0.5636 NPC214368
Remote Similarity 0.5635 NPC473580
Remote Similarity 0.5634 NPC234069
Remote Similarity 0.5631 NPC257511
Remote Similarity 0.5628 NPC313587
Remote Similarity 0.5628 NPC315893
Remote Similarity 0.5628 NPC316110
Remote Similarity 0.5625 NPC470746
Remote Similarity 0.5625 NPC471336
Remote Similarity 0.5625 NPC81026
Remote Similarity 0.5625 NPC217180
Remote Similarity 0.5625 NPC312525
Remote Similarity 0.5623 NPC315411
Remote Similarity 0.5622 NPC149962
Remote Similarity 0.5619 NPC283783
Remote Similarity 0.5616 NPC471652
Remote Similarity 0.5612 NPC262166
Remote Similarity 0.5608 NPC170604
Remote Similarity 0.5608 NPC215109
Remote Similarity 0.5607 NPC329961
Remote Similarity 0.5604 NPC50016
Remote Similarity 0.5602 NPC156768
Remote Similarity 0.56 NPC205523

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  423.06
ALogP  -1.062
MLogP  1.79
XLogP  0.428
HDA  9
HBD  3
Rotatable Bonds  12
TPSA  206.37
RO5 Violation  0