Drug Information

Drug ID:  NPD3878
Drug Name:  Moxalactam Disodium
Molecular Formula:  C20H20N6O9S.2Na
Canonical SMILES:  CO[C@@]1(N=C(C(c2ccc(cc2)[O-])C(=O)O)[O-])C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C.[Na+].[Na+]
Standard InCHI:  InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1
Standard InCHIKey:  GRIXGZQULWMCLU-HUTAOCTPSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3878

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 0.7097 NPC478005
Remote Similarity 0.6909 NPC475350
Remote Similarity 0.6909 NPC14877
Remote Similarity 0.6909 NPC145178
Remote Similarity 0.6892 NPC251036
Remote Similarity 0.6878 NPC475421
Remote Similarity 0.6866 NPC315388
Remote Similarity 0.6832 NPC196091
Remote Similarity 0.6828 NPC478007
Remote Similarity 0.6814 NPC26108
Remote Similarity 0.681 NPC329731
Remote Similarity 0.681 NPC4910
Remote Similarity 0.6792 NPC477526
Remote Similarity 0.6779 NPC470112
Remote Similarity 0.6779 NPC167763
Remote Similarity 0.6779 NPC470903
Remote Similarity 0.6776 NPC184933
Remote Similarity 0.6776 NPC59827
Remote Similarity 0.6773 NPC246303
Remote Similarity 0.6769 NPC478008
Remote Similarity 0.6714 NPC299806
Remote Similarity 0.6683 NPC153554
Remote Similarity 0.6682 NPC477527
Remote Similarity 0.665 NPC473502
Remote Similarity 0.6606 NPC477552
Remote Similarity 0.6606 NPC477550
Remote Similarity 0.6602 NPC248670
Remote Similarity 0.6602 NPC137627
Remote Similarity 0.657 NPC317362
Remote Similarity 0.657 NPC318930
Remote Similarity 0.657 NPC476227
Remote Similarity 0.6567 NPC475544
Remote Similarity 0.6564 NPC105717
Remote Similarity 0.6557 NPC315542
Remote Similarity 0.6552 NPC472923
Remote Similarity 0.6552 NPC63931
Remote Similarity 0.6545 NPC477551
Remote Similarity 0.6509 NPC471048
Remote Similarity 0.6509 NPC471050
Remote Similarity 0.6509 NPC471049
Remote Similarity 0.6505 NPC475204
Remote Similarity 0.6505 NPC471568
Remote Similarity 0.6505 NPC473693
Remote Similarity 0.6505 NPC475123
Remote Similarity 0.6495 NPC94862
Remote Similarity 0.649 NPC279871
Remote Similarity 0.649 NPC317725
Remote Similarity 0.649 NPC326407
Remote Similarity 0.649 NPC158277
Remote Similarity 0.649 NPC471165
Remote Similarity 0.6485 NPC469243
Remote Similarity 0.6473 NPC89831
Remote Similarity 0.6471 NPC475196
Remote Similarity 0.6465 NPC162104
Remote Similarity 0.645 NPC473580
Remote Similarity 0.6439 NPC471771
Remote Similarity 0.6439 NPC290755
Remote Similarity 0.6439 NPC304074
Remote Similarity 0.6435 NPC240130
Remote Similarity 0.6435 NPC61332
Remote Similarity 0.6432 NPC286551
Remote Similarity 0.6432 NPC294951
Remote Similarity 0.6429 NPC145113
Remote Similarity 0.6425 NPC40234
Remote Similarity 0.6425 NPC276506
Remote Similarity 0.6422 NPC328763
Remote Similarity 0.6414 NPC473491
Remote Similarity 0.6411 NPC473354
Remote Similarity 0.6398 NPC194671
Remote Similarity 0.6398 NPC269750
Remote Similarity 0.6393 NPC477632
Remote Similarity 0.6393 NPC477638
Remote Similarity 0.639 NPC223207
Remote Similarity 0.6382 NPC233702
Remote Similarity 0.638 NPC323662
Remote Similarity 0.6377 NPC280022
Remote Similarity 0.6377 NPC186617
Remote Similarity 0.6364 NPC306804
Remote Similarity 0.6364 NPC13470
Remote Similarity 0.6359 NPC473305
Remote Similarity 0.6359 NPC163961
Remote Similarity 0.6359 NPC254700
Remote Similarity 0.6347 NPC302715
Remote Similarity 0.6346 NPC198254
Remote Similarity 0.6346 NPC274198
Remote Similarity 0.6345 NPC16188
Remote Similarity 0.6338 NPC476321
Remote Similarity 0.6333 NPC159767
Remote Similarity 0.6333 NPC155506
Remote Similarity 0.6329 NPC294516
Remote Similarity 0.6329 NPC209463
Remote Similarity 0.6329 NPC107938
Remote Similarity 0.6323 NPC476661
Remote Similarity 0.6318 NPC39431
Remote Similarity 0.6308 NPC471526
Remote Similarity 0.6303 NPC196243
Remote Similarity 0.6303 NPC50016
Remote Similarity 0.6301 NPC165538
Remote Similarity 0.6295 NPC476662
Remote Similarity 0.6294 NPC81026
Remote Similarity 0.629 NPC477639
Remote Similarity 0.6286 NPC273755
Remote Similarity 0.6284 NPC477636
Remote Similarity 0.6284 NPC122427
Remote Similarity 0.6269 NPC202198
Remote Similarity 0.6269 NPC262166
Remote Similarity 0.6263 NPC329761
Remote Similarity 0.6263 NPC135121
Remote Similarity 0.6263 NPC225648
Remote Similarity 0.6262 NPC473404
Remote Similarity 0.6256 NPC263493
Remote Similarity 0.6256 NPC269398
Remote Similarity 0.6256 NPC473378
Remote Similarity 0.6256 NPC473407
Remote Similarity 0.6244 NPC266741
Remote Similarity 0.6244 NPC209509
Remote Similarity 0.6239 NPC102959
Remote Similarity 0.6239 NPC75498
Remote Similarity 0.6238 NPC328494
Remote Similarity 0.6238 NPC230611
Remote Similarity 0.6237 NPC313694
Remote Similarity 0.6237 NPC242159
Remote Similarity 0.6227 NPC477631
Remote Similarity 0.6225 NPC207675
Remote Similarity 0.6225 NPC212699
Remote Similarity 0.6221 NPC276120
Remote Similarity 0.6213 NPC475609
Remote Similarity 0.621 NPC60516
Remote Similarity 0.621 NPC329961
Remote Similarity 0.6209 NPC475532
Remote Similarity 0.6202 NPC61004
Remote Similarity 0.6195 NPC244336
Remote Similarity 0.6195 NPC319320
Remote Similarity 0.6195 NPC287757
Remote Similarity 0.619 NPC46009
Remote Similarity 0.6186 NPC477637
Remote Similarity 0.6179 NPC473402
Remote Similarity 0.6179 NPC136797
Remote Similarity 0.6179 NPC165285
Remote Similarity 0.6169 NPC324081
Remote Similarity 0.6168 NPC97526
Remote Similarity 0.6168 NPC119652
Remote Similarity 0.6168 NPC45037
Remote Similarity 0.6162 NPC5620
Remote Similarity 0.6162 NPC201244
Remote Similarity 0.6162 NPC477217
Remote Similarity 0.615 NPC9373
Remote Similarity 0.615 NPC189908
Remote Similarity 0.6147 NPC14390
Remote Similarity 0.6146 NPC323336
Remote Similarity 0.6146 NPC326349
Remote Similarity 0.6143 NPC329295
Remote Similarity 0.6143 NPC129486
Remote Similarity 0.6142 NPC251439
Remote Similarity 0.6139 NPC314056
Remote Similarity 0.6135 NPC241794
Remote Similarity 0.6127 NPC476268
Remote Similarity 0.6127 NPC244509
Remote Similarity 0.6126 NPC314083
Remote Similarity 0.6126 NPC65714
Remote Similarity 0.6121 NPC326333
Remote Similarity 0.6119 NPC283783
Remote Similarity 0.6119 NPC132771
Remote Similarity 0.6103 NPC17698
Remote Similarity 0.6103 NPC164608
Remote Similarity 0.61 NPC83790
Remote Similarity 0.61 NPC128237
Remote Similarity 0.6098 NPC478011
Remote Similarity 0.6095 NPC302597
Remote Similarity 0.6091 NPC476989
Remote Similarity 0.6075 NPC314176
Remote Similarity 0.6071 NPC470884
Remote Similarity 0.6071 NPC98424
Remote Similarity 0.6071 NPC476133
Remote Similarity 0.6071 NPC473371
Remote Similarity 0.6071 NPC178662
Remote Similarity 0.6071 NPC92784
Remote Similarity 0.607 NPC257511
Remote Similarity 0.6069 NPC478013
Remote Similarity 0.6068 NPC197743
Remote Similarity 0.6068 NPC297145
Remote Similarity 0.6068 NPC326027
Remote Similarity 0.6065 NPC475409
Remote Similarity 0.6065 NPC170302
Remote Similarity 0.6065 NPC475564
Remote Similarity 0.6065 NPC32064
Remote Similarity 0.6063 NPC209865
Remote Similarity 0.6063 NPC174122
Remote Similarity 0.6063 NPC64140
Remote Similarity 0.6061 NPC139326
Remote Similarity 0.6061 NPC161069
Remote Similarity 0.6061 NPC468984
Remote Similarity 0.6047 NPC473546
Remote Similarity 0.6044 NPC471592
Remote Similarity 0.6041 NPC268841
Remote Similarity 0.6041 NPC323752
Remote Similarity 0.6041 NPC307357
Remote Similarity 0.6041 NPC46098
Remote Similarity 0.604 NPC129666
Remote Similarity 0.6039 NPC314882

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  518.09
ALogP  -2.3116
MLogP  1.9
XLogP  -1.156
HDA  14
HBD  2
Rotatable Bonds  15
TPSA  240.75
RO5 Violation  1