Drug Information

Drug ID:  NPD2258
Drug Name:  Oseltamivir Phosphate
Molecular Formula:  C16H28N2O4.H3O4P
Canonical SMILES:  OP(=O)(O)O.CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)N=C(O)C)OC(CC)CC
Standard InCHI:  InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
Standard InCHIKey:  PGZUMBJQJWIWGJ-ONAKXNSWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2258

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
High Similarity 1.0 NPC469895
Intermediate Similarity 0.7568 NPC298484
Remote Similarity 0.6727 NPC175614
Remote Similarity 0.6557 NPC147707
Remote Similarity 0.6529 NPC471645
Remote Similarity 0.6486 NPC150041
Remote Similarity 0.6373 NPC474833
Remote Similarity 0.6372 NPC476344
Remote Similarity 0.633 NPC39290
Remote Similarity 0.633 NPC159369
Remote Similarity 0.6325 NPC477001
Remote Similarity 0.6325 NPC477000
Remote Similarity 0.6325 NPC74035
Remote Similarity 0.6293 NPC128501
Remote Similarity 0.6288 NPC161644
Remote Similarity 0.6281 NPC147238
Remote Similarity 0.6271 NPC154601
Remote Similarity 0.6271 NPC271269
Remote Similarity 0.625 NPC329305
Remote Similarity 0.624 NPC9714
Remote Similarity 0.624 NPC174463
Remote Similarity 0.6218 NPC271562
Remote Similarity 0.6204 NPC25025
Remote Similarity 0.6198 NPC127578
Remote Similarity 0.619 NPC471261
Remote Similarity 0.6148 NPC239252
Remote Similarity 0.6148 NPC473703
Remote Similarity 0.6142 NPC230849
Remote Similarity 0.6136 NPC97861
Remote Similarity 0.6134 NPC475918
Remote Similarity 0.6134 NPC472615
Remote Similarity 0.6129 NPC472536
Remote Similarity 0.6129 NPC103391
Remote Similarity 0.6122 NPC474812
Remote Similarity 0.6087 NPC265662
Remote Similarity 0.6083 NPC251330
Remote Similarity 0.6068 NPC313234
Remote Similarity 0.6066 NPC113012
Remote Similarity 0.6066 NPC122926
Remote Similarity 0.6055 NPC469861
Remote Similarity 0.6055 NPC130436
Remote Similarity 0.6055 NPC469860
Remote Similarity 0.605 NPC472616
Remote Similarity 0.6017 NPC72401
Remote Similarity 0.6017 NPC325339
Remote Similarity 0.6 NPC101106
Remote Similarity 0.6 NPC135216
Remote Similarity 0.6 NPC472614
Remote Similarity 0.5985 NPC473249
Remote Similarity 0.5981 NPC474312
Remote Similarity 0.5968 NPC469865
Remote Similarity 0.5966 NPC474563
Remote Similarity 0.596 NPC218477
Remote Similarity 0.595 NPC250187
Remote Similarity 0.595 NPC467022
Remote Similarity 0.5948 NPC241426
Remote Similarity 0.5941 NPC84038
Remote Similarity 0.5932 NPC474873
Remote Similarity 0.592 NPC5485
Remote Similarity 0.5918 NPC314221
Remote Similarity 0.5918 NPC60424
Remote Similarity 0.5917 NPC119329
Remote Similarity 0.5917 NPC205176
Remote Similarity 0.5906 NPC316325
Remote Similarity 0.5905 NPC93763
Remote Similarity 0.5905 NPC108816
Remote Similarity 0.5902 NPC471636
Remote Similarity 0.5902 NPC307903
Remote Similarity 0.5902 NPC140251
Remote Similarity 0.5902 NPC474969
Remote Similarity 0.5902 NPC476034
Remote Similarity 0.5902 NPC287572
Remote Similarity 0.5897 NPC132931
Remote Similarity 0.5891 NPC139867
Remote Similarity 0.5891 NPC11379
Remote Similarity 0.5887 NPC58281
Remote Similarity 0.5882 NPC474705
Remote Similarity 0.5878 NPC16709
Remote Similarity 0.5877 NPC304897
Remote Similarity 0.5873 NPC469423
Remote Similarity 0.5868 NPC201128
Remote Similarity 0.5859 NPC235625
Remote Similarity 0.5854 NPC474891
Remote Similarity 0.5854 NPC133729
Remote Similarity 0.5854 NPC473578
Remote Similarity 0.5849 NPC157173
Remote Similarity 0.5842 NPC133700
Remote Similarity 0.5841 NPC236322
Remote Similarity 0.5833 NPC477487
Remote Similarity 0.5833 NPC215988
Remote Similarity 0.5827 NPC315652
Remote Similarity 0.5827 NPC7905
Remote Similarity 0.5825 NPC476355
Remote Similarity 0.5821 NPC478136
Remote Similarity 0.5812 NPC4834
Remote Similarity 0.5806 NPC477997
Remote Similarity 0.5802 NPC273185
Remote Similarity 0.5798 NPC316250
Remote Similarity 0.5798 NPC314792
Remote Similarity 0.5797 NPC471256
Remote Similarity 0.5789 NPC472264
Remote Similarity 0.5785 NPC14537
Remote Similarity 0.5784 NPC186531
Remote Similarity 0.5781 NPC271621
Remote Similarity 0.5781 NPC59751
Remote Similarity 0.5781 NPC27413
Remote Similarity 0.5776 NPC50902
Remote Similarity 0.5776 NPC205546
Remote Similarity 0.5776 NPC189764
Remote Similarity 0.5776 NPC233273
Remote Similarity 0.5772 NPC15413
Remote Similarity 0.5772 NPC475150
Remote Similarity 0.5769 NPC473808
Remote Similarity 0.576 NPC29501
Remote Similarity 0.576 NPC181510
Remote Similarity 0.576 NPC168758
Remote Similarity 0.576 NPC47857
Remote Similarity 0.5758 NPC315783
Remote Similarity 0.5758 NPC248125
Remote Similarity 0.5746 NPC96010
Remote Similarity 0.5746 NPC204556
Remote Similarity 0.5746 NPC317654
Remote Similarity 0.5743 NPC280065
Remote Similarity 0.5743 NPC45060
Remote Similarity 0.5739 NPC472613
Remote Similarity 0.5738 NPC471259
Remote Similarity 0.5738 NPC472433
Remote Similarity 0.5738 NPC473252
Remote Similarity 0.5738 NPC93179
Remote Similarity 0.5714 NPC230889
Remote Similarity 0.5714 NPC295444
Remote Similarity 0.5714 NPC123360
Remote Similarity 0.5714 NPC268327
Remote Similarity 0.5714 NPC239768
Remote Similarity 0.5714 NPC128698
Remote Similarity 0.5714 NPC204639
Remote Similarity 0.5714 NPC273215
Remote Similarity 0.5714 NPC279383
Remote Similarity 0.5704 NPC477793
Remote Similarity 0.5704 NPC329919
Remote Similarity 0.5703 NPC477554
Remote Similarity 0.5702 NPC55336
Remote Similarity 0.57 NPC203335
Remote Similarity 0.5694 NPC142761
Remote Similarity 0.5693 NPC261730
Remote Similarity 0.5693 NPC120335
Remote Similarity 0.5693 NPC315011
Remote Similarity 0.5688 NPC475159
Remote Similarity 0.5688 NPC94875
Remote Similarity 0.5688 NPC180363
Remote Similarity 0.5688 NPC473712
Remote Similarity 0.5688 NPC329829
Remote Similarity 0.5688 NPC473529
Remote Similarity 0.5688 NPC73310
Remote Similarity 0.5688 NPC145914
Remote Similarity 0.5688 NPC11332
Remote Similarity 0.5688 NPC131002
Remote Similarity 0.5688 NPC85772
Remote Similarity 0.5688 NPC473780
Remote Similarity 0.5688 NPC65930
Remote Similarity 0.5686 NPC67183
Remote Similarity 0.5678 NPC150967
Remote Similarity 0.5676 NPC182383
Remote Similarity 0.5673 NPC140287
Remote Similarity 0.5669 NPC193471
Remote Similarity 0.5669 NPC475988
Remote Similarity 0.5669 NPC130124
Remote Similarity 0.5667 NPC188785
Remote Similarity 0.5664 NPC292345
Remote Similarity 0.566 NPC41780
Remote Similarity 0.566 NPC187568
Remote Similarity 0.566 NPC320630
Remote Similarity 0.566 NPC57744
Remote Similarity 0.566 NPC116177
Remote Similarity 0.566 NPC7563
Remote Similarity 0.5659 NPC197470
Remote Similarity 0.5659 NPC201968
Remote Similarity 0.5659 NPC477553
Remote Similarity 0.5656 NPC87919
Remote Similarity 0.5656 NPC75523
Remote Similarity 0.5656 NPC44514
Remote Similarity 0.5645 NPC70235
Remote Similarity 0.5645 NPC220730
Remote Similarity 0.5643 NPC82129
Remote Similarity 0.5636 NPC169575
Remote Similarity 0.5636 NPC40746
Remote Similarity 0.5636 NPC253801
Remote Similarity 0.5636 NPC144415
Remote Similarity 0.5631 NPC163003
Remote Similarity 0.563 NPC315170
Remote Similarity 0.563 NPC234542
Remote Similarity 0.5625 NPC47937
Remote Similarity 0.562 NPC471258
Remote Similarity 0.5619 NPC329826
Remote Similarity 0.5619 NPC469414
Remote Similarity 0.5616 NPC477519
Remote Similarity 0.5615 NPC470276
Remote Similarity 0.5615 NPC477555
Remote Similarity 0.5615 NPC296361
Remote Similarity 0.5612 NPC78189

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  312.20
ALogP  -1.1666
MLogP  2.56
XLogP  1.536
HDA  6
HBD  2
Rotatable Bonds  14
TPSA  94.14
RO5 Violation  0