Drug Information

Drug ID:  NPD6253
Drug Name:  Cefoperazone Sodium
Molecular Formula:  C25H27N9O8S2.Na
Canonical SMILES:  CCN1CCN(C(=O)C1=O)C(=N[C@H](c1ccc(cc1)[O-])C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)O)O.[Na+]
Standard InCHI:  InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
Standard InCHIKey:  NCFTXMQPRQZFMZ-WERGMSTESA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6253

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 0.8177 NPC315388
Intermediate Similarity 0.7444 NPC13470
Intermediate Similarity 0.7282 NPC153554
Intermediate Similarity 0.7064 NPC478007
Intermediate Similarity 0.7028 NPC478005
Intermediate Similarity 0.7017 NPC468984
Intermediate Similarity 0.7 NPC478008
Remote Similarity 0.6895 NPC326349
Remote Similarity 0.6895 NPC323336
Remote Similarity 0.6853 NPC475532
Remote Similarity 0.6837 NPC198254
Remote Similarity 0.6837 NPC274198
Remote Similarity 0.6823 NPC469243
Remote Similarity 0.6818 NPC165285
Remote Similarity 0.6804 NPC223207
Remote Similarity 0.6786 NPC129486
Remote Similarity 0.6784 NPC196243
Remote Similarity 0.6779 NPC477632
Remote Similarity 0.6779 NPC477638
Remote Similarity 0.6776 NPC476989
Remote Similarity 0.6774 NPC83790
Remote Similarity 0.6774 NPC128237
Remote Similarity 0.6769 NPC304074
Remote Similarity 0.6769 NPC471771
Remote Similarity 0.6769 NPC290755
Remote Similarity 0.6768 NPC137627
Remote Similarity 0.6751 NPC276506
Remote Similarity 0.6736 NPC475544
Remote Similarity 0.6734 NPC17698
Remote Similarity 0.672 NPC233702
Remote Similarity 0.6715 NPC477526
Remote Similarity 0.6702 NPC473580
Remote Similarity 0.6684 NPC202198
Remote Similarity 0.6684 NPC16188
Remote Similarity 0.6684 NPC61004
Remote Similarity 0.6667 NPC475204
Remote Similarity 0.6667 NPC475123
Remote Similarity 0.6667 NPC242159
Remote Similarity 0.6667 NPC477636
Remote Similarity 0.6667 NPC313694
Remote Similarity 0.6667 NPC473491
Remote Similarity 0.665 NPC329731
Remote Similarity 0.665 NPC279871
Remote Similarity 0.6619 NPC59827
Remote Similarity 0.6619 NPC184933
Remote Similarity 0.6603 NPC477631
Remote Similarity 0.6597 NPC261934
Remote Similarity 0.6597 NPC5194
Remote Similarity 0.6588 NPC477639
Remote Similarity 0.6588 NPC329295
Remote Similarity 0.6587 NPC240130
Remote Similarity 0.6587 NPC61332
Remote Similarity 0.6583 NPC40234
Remote Similarity 0.6578 NPC471680
Remote Similarity 0.657 NPC4910
Remote Similarity 0.6569 NPC477637
Remote Similarity 0.6569 NPC473404
Remote Similarity 0.6567 NPC476227
Remote Similarity 0.6566 NPC294516
Remote Similarity 0.6566 NPC107938
Remote Similarity 0.6552 NPC269750
Remote Similarity 0.6552 NPC194671
Remote Similarity 0.655 NPC230611
Remote Similarity 0.653 NPC475350
Remote Similarity 0.653 NPC145178
Remote Similarity 0.653 NPC14877
Remote Similarity 0.6526 NPC477527
Remote Similarity 0.6517 NPC248670
Remote Similarity 0.6517 NPC306804
Remote Similarity 0.6516 NPC251036
Remote Similarity 0.6513 NPC244336
Remote Similarity 0.651 NPC262166
Remote Similarity 0.651 NPC56685
Remote Similarity 0.6507 NPC60516
Remote Similarity 0.6493 NPC302715
Remote Similarity 0.649 NPC94862
Remote Similarity 0.6485 NPC473402
Remote Similarity 0.6485 NPC26108
Remote Similarity 0.6482 NPC141957
Remote Similarity 0.6468 NPC89831
Remote Similarity 0.6465 NPC63931
Remote Similarity 0.6459 NPC102959
Remote Similarity 0.6453 NPC50016
Remote Similarity 0.6452 NPC75498
Remote Similarity 0.6452 NPC143325
Remote Similarity 0.645 NPC280022
Remote Similarity 0.6447 NPC241794
Remote Similarity 0.6443 NPC244509
Remote Similarity 0.6436 NPC273755
Remote Similarity 0.6425 NPC471050
Remote Similarity 0.6425 NPC471048
Remote Similarity 0.6425 NPC294951
Remote Similarity 0.6425 NPC471049
Remote Similarity 0.6418 NPC46009
Remote Similarity 0.6414 NPC191863
Remote Similarity 0.6414 NPC133470
Remote Similarity 0.6414 NPC289776
Remote Similarity 0.6404 NPC155506
Remote Similarity 0.6404 NPC159767
Remote Similarity 0.6404 NPC471165
Remote Similarity 0.6404 NPC473354
Remote Similarity 0.6402 NPC266741
Remote Similarity 0.64 NPC302597
Remote Similarity 0.64 NPC328649
Remote Similarity 0.6393 NPC257390
Remote Similarity 0.639 NPC45037
Remote Similarity 0.639 NPC119652
Remote Similarity 0.639 NPC97526
Remote Similarity 0.6374 NPC300315
Remote Similarity 0.6368 NPC81026
Remote Similarity 0.6359 NPC39822
Remote Similarity 0.6351 NPC473305
Remote Similarity 0.6351 NPC163961
Remote Similarity 0.6329 NPC476321
Remote Similarity 0.6325 NPC475196
Remote Similarity 0.6324 NPC317725
Remote Similarity 0.6324 NPC158277
Remote Similarity 0.6324 NPC326407
Remote Similarity 0.63 NPC472923
Remote Similarity 0.6298 NPC471526
Remote Similarity 0.6276 NPC476268
Remote Similarity 0.6268 NPC302235
Remote Similarity 0.625 NPC311658
Remote Similarity 0.6244 NPC317362
Remote Similarity 0.6244 NPC136797
Remote Similarity 0.6244 NPC318930
Remote Similarity 0.623 NPC322878
Remote Similarity 0.6224 NPC39431
Remote Similarity 0.6218 NPC9373
Remote Similarity 0.6211 NPC478011
Remote Similarity 0.619 NPC48202
Remote Similarity 0.619 NPC478141
Remote Similarity 0.6188 NPC254700
Remote Similarity 0.6187 NPC314176
Remote Similarity 0.6161 NPC315542
Remote Similarity 0.6154 NPC323244
Remote Similarity 0.6147 NPC477550
Remote Similarity 0.6147 NPC477552
Remote Similarity 0.6134 NPC189908
Remote Similarity 0.6127 NPC66490
Remote Similarity 0.6127 NPC186617
Remote Similarity 0.6126 NPC314056
Remote Similarity 0.6126 NPC257511
Remote Similarity 0.6124 NPC170302
Remote Similarity 0.6124 NPC475564
Remote Similarity 0.6124 NPC475409
Remote Similarity 0.6118 NPC328924
Remote Similarity 0.6116 NPC469444
Remote Similarity 0.6106 NPC469445
Remote Similarity 0.6098 NPC471568
Remote Similarity 0.6098 NPC473693
Remote Similarity 0.6093 NPC473407
Remote Similarity 0.6093 NPC473378
Remote Similarity 0.6091 NPC469443
Remote Similarity 0.6091 NPC477551
Remote Similarity 0.6085 NPC478012
Remote Similarity 0.6071 NPC220060
Remote Similarity 0.6064 NPC267237
Remote Similarity 0.6061 NPC475609
Remote Similarity 0.6055 NPC472539
Remote Similarity 0.6055 NPC478013
Remote Similarity 0.6055 NPC472540
Remote Similarity 0.6055 NPC470787
Remote Similarity 0.6053 NPC89489
Remote Similarity 0.6051 NPC105717
Remote Similarity 0.605 NPC477516
Remote Similarity 0.6047 NPC174629
Remote Similarity 0.6047 NPC122427
Remote Similarity 0.6047 NPC329961
Remote Similarity 0.6043 NPC326966
Remote Similarity 0.6037 NPC65714
Remote Similarity 0.6035 NPC242923
Remote Similarity 0.6031 NPC473804
Remote Similarity 0.6029 NPC473546
Remote Similarity 0.6028 NPC96275
Remote Similarity 0.6027 NPC246303
Remote Similarity 0.6027 NPC472542
Remote Similarity 0.6027 NPC472541
Remote Similarity 0.602 NPC287757
Remote Similarity 0.602 NPC319320
Remote Similarity 0.6011 NPC244866
Remote Similarity 0.601 NPC164608
Remote Similarity 0.6009 NPC295548
Remote Similarity 0.6009 NPC280638
Remote Similarity 0.6 NPC475421
Remote Similarity 0.6 NPC234069
Remote Similarity 0.6 NPC119569
Remote Similarity 0.599 NPC328494
Remote Similarity 0.599 NPC324081
Remote Similarity 0.5982 NPC473371
Remote Similarity 0.598 NPC189116
Remote Similarity 0.5978 NPC311737
Remote Similarity 0.5978 NPC38458
Remote Similarity 0.5978 NPC171372
Remote Similarity 0.5972 NPC51047
Remote Similarity 0.5972 NPC166169
Remote Similarity 0.5972 NPC174122
Remote Similarity 0.5972 NPC64140
Remote Similarity 0.5972 NPC32064
Remote Similarity 0.5969 NPC132636

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  644.13
ALogP  -1.2439
MLogP  2.12
XLogP  -0.647
HDA  16
HBD  3
Rotatable Bonds  16
TPSA  280.67
RO5 Violation  1