Drug Information

Drug ID:  NPD1798
Drug Name:  Oxprenolol
Molecular Formula:  C15H23NO3
Canonical SMILES:  C=CCOc1ccccc1OCC(CNC(C)C)O
Standard InCHI:  InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
Standard InCHIKey:  CEMAWMOMDPGJMB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1798

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 0.877 NPC136112
High Similarity 0.877 NPC320242
High Similarity 0.877 NPC141739
Intermediate Similarity 0.8359 NPC307123
Intermediate Similarity 0.8359 NPC247018
Intermediate Similarity 0.8359 NPC97870
Intermediate Similarity 0.8045 NPC318591
Intermediate Similarity 0.8045 NPC231163
Intermediate Similarity 0.8017 NPC41594
Intermediate Similarity 0.7876 NPC313918
Intermediate Similarity 0.775 NPC95977
Intermediate Similarity 0.7658 NPC318429
Intermediate Similarity 0.7652 NPC314803
Intermediate Similarity 0.7609 NPC204546
Intermediate Similarity 0.7387 NPC206876
Intermediate Similarity 0.7385 NPC298486
Intermediate Similarity 0.7304 NPC114325
Intermediate Similarity 0.728 NPC26524
Intermediate Similarity 0.7258 NPC55300
Intermediate Similarity 0.7248 NPC160931
Intermediate Similarity 0.7248 NPC37205
Intermediate Similarity 0.7206 NPC329595
Intermediate Similarity 0.7206 NPC326599
Intermediate Similarity 0.72 NPC165646
Intermediate Similarity 0.7197 NPC328267
Intermediate Similarity 0.7176 NPC211992
Intermediate Similarity 0.7073 NPC194034
Intermediate Similarity 0.7073 NPC258171
Intermediate Similarity 0.7068 NPC13020
Intermediate Similarity 0.7068 NPC140359
Intermediate Similarity 0.7059 NPC132725
Intermediate Similarity 0.7054 NPC9248
Intermediate Similarity 0.7054 NPC120075
Intermediate Similarity 0.7047 NPC203424
Intermediate Similarity 0.7047 NPC206372
Intermediate Similarity 0.704 NPC46844
Intermediate Similarity 0.7 NPC13826
Intermediate Similarity 0.7 NPC209195
Intermediate Similarity 0.7 NPC228907
Remote Similarity 0.6993 NPC158900
Remote Similarity 0.6942 NPC51633
Remote Similarity 0.6935 NPC227894
Remote Similarity 0.6929 NPC274441
Remote Similarity 0.6911 NPC17537
Remote Similarity 0.6911 NPC307875
Remote Similarity 0.6906 NPC274732
Remote Similarity 0.6905 NPC137685
Remote Similarity 0.6901 NPC253429
Remote Similarity 0.6885 NPC192596
Remote Similarity 0.6884 NPC262641
Remote Similarity 0.688 NPC97811
Remote Similarity 0.6866 NPC71090
Remote Similarity 0.685 NPC139617
Remote Similarity 0.685 NPC78918
Remote Similarity 0.6849 NPC294249
Remote Similarity 0.6842 NPC276195
Remote Similarity 0.6829 NPC108875
Remote Similarity 0.6829 NPC38079
Remote Similarity 0.6797 NPC115379
Remote Similarity 0.6794 NPC164386
Remote Similarity 0.6791 NPC290451
Remote Similarity 0.6791 NPC127389
Remote Similarity 0.6788 NPC236347
Remote Similarity 0.6788 NPC323775
Remote Similarity 0.6776 NPC2295
Remote Similarity 0.6776 NPC477564
Remote Similarity 0.6774 NPC42383
Remote Similarity 0.6774 NPC470393
Remote Similarity 0.6769 NPC10286
Remote Similarity 0.6769 NPC213
Remote Similarity 0.6765 NPC221090
Remote Similarity 0.6765 NPC109822
Remote Similarity 0.6765 NPC94276
Remote Similarity 0.6765 NPC114901
Remote Similarity 0.6765 NPC293701
Remote Similarity 0.6765 NPC48990
Remote Similarity 0.6765 NPC25817
Remote Similarity 0.6763 NPC195902
Remote Similarity 0.6755 NPC76213
Remote Similarity 0.6755 NPC277669
Remote Similarity 0.6746 NPC146530
Remote Similarity 0.6741 NPC152722
Remote Similarity 0.6739 NPC291847
Remote Similarity 0.6738 NPC160692
Remote Similarity 0.6733 NPC60538
Remote Similarity 0.6733 NPC207824
Remote Similarity 0.6719 NPC21890
Remote Similarity 0.6716 NPC199023
Remote Similarity 0.6715 NPC194519
Remote Similarity 0.6693 NPC246358
Remote Similarity 0.6693 NPC233731
Remote Similarity 0.6693 NPC36108
Remote Similarity 0.6693 NPC24777
Remote Similarity 0.6693 NPC7097
Remote Similarity 0.6692 NPC24474
Remote Similarity 0.6692 NPC256369
Remote Similarity 0.6692 NPC37858
Remote Similarity 0.6692 NPC311595
Remote Similarity 0.6692 NPC142319
Remote Similarity 0.6692 NPC135961
Remote Similarity 0.6691 NPC217854
Remote Similarity 0.6691 NPC192810
Remote Similarity 0.669 NPC477838
Remote Similarity 0.669 NPC477837
Remote Similarity 0.6688 NPC124433
Remote Similarity 0.6688 NPC293871
Remote Similarity 0.6667 NPC124712
Remote Similarity 0.6667 NPC186469
Remote Similarity 0.6667 NPC312770
Remote Similarity 0.6667 NPC160607
Remote Similarity 0.6667 NPC41473
Remote Similarity 0.6667 NPC298845
Remote Similarity 0.6667 NPC204848
Remote Similarity 0.6667 NPC193528
Remote Similarity 0.6667 NPC23837
Remote Similarity 0.6667 NPC310905
Remote Similarity 0.6667 NPC470804
Remote Similarity 0.6667 NPC118419
Remote Similarity 0.6667 NPC58607
Remote Similarity 0.6667 NPC124576
Remote Similarity 0.6667 NPC14600
Remote Similarity 0.6667 NPC191037
Remote Similarity 0.6667 NPC12714
Remote Similarity 0.6667 NPC137096
Remote Similarity 0.6667 NPC178284
Remote Similarity 0.6667 NPC125306
Remote Similarity 0.6644 NPC323204
Remote Similarity 0.6644 NPC66518
Remote Similarity 0.6643 NPC200555
Remote Similarity 0.6643 NPC196026
Remote Similarity 0.6643 NPC264956
Remote Similarity 0.6642 NPC300955
Remote Similarity 0.6642 NPC105513
Remote Similarity 0.6642 NPC263835
Remote Similarity 0.6619 NPC319625
Remote Similarity 0.6619 NPC280736
Remote Similarity 0.6619 NPC111247
Remote Similarity 0.6619 NPC153990
Remote Similarity 0.6619 NPC474119
Remote Similarity 0.6619 NPC37074
Remote Similarity 0.6619 NPC186898
Remote Similarity 0.6619 NPC118787
Remote Similarity 0.6619 NPC183181
Remote Similarity 0.6619 NPC163332
Remote Similarity 0.6619 NPC172403
Remote Similarity 0.6619 NPC147821
Remote Similarity 0.6619 NPC292056
Remote Similarity 0.6619 NPC41706
Remote Similarity 0.6617 NPC474214
Remote Similarity 0.6617 NPC255675
Remote Similarity 0.6615 NPC301735
Remote Similarity 0.6594 NPC71105
Remote Similarity 0.6594 NPC152186
Remote Similarity 0.6594 NPC246133
Remote Similarity 0.6594 NPC182147
Remote Similarity 0.6594 NPC170583
Remote Similarity 0.6594 NPC207541
Remote Similarity 0.6593 NPC183262
Remote Similarity 0.6593 NPC207613
Remote Similarity 0.6591 NPC221049
Remote Similarity 0.6589 NPC173746
Remote Similarity 0.6589 NPC257124
Remote Similarity 0.6589 NPC8547
Remote Similarity 0.6589 NPC156840
Remote Similarity 0.6589 NPC195873
Remote Similarity 0.6589 NPC166837
Remote Similarity 0.6589 NPC245552
Remote Similarity 0.6587 NPC232654
Remote Similarity 0.6587 NPC473653
Remote Similarity 0.6581 NPC157213
Remote Similarity 0.6575 NPC83289
Remote Similarity 0.6575 NPC212850
Remote Similarity 0.6575 NPC189724
Remote Similarity 0.6571 NPC155838
Remote Similarity 0.6571 NPC302378
Remote Similarity 0.6571 NPC469977
Remote Similarity 0.6571 NPC247146
Remote Similarity 0.6569 NPC255253
Remote Similarity 0.6567 NPC181969
Remote Similarity 0.6567 NPC320987
Remote Similarity 0.6567 NPC163036
Remote Similarity 0.6567 NPC474320
Remote Similarity 0.656 NPC226778
Remote Similarity 0.656 NPC147000
Remote Similarity 0.656 NPC150254
Remote Similarity 0.656 NPC304761
Remote Similarity 0.656 NPC292792
Remote Similarity 0.6558 NPC233926
Remote Similarity 0.6549 NPC471953
Remote Similarity 0.6549 NPC208757
Remote Similarity 0.6547 NPC171533
Remote Similarity 0.6547 NPC156944
Remote Similarity 0.6547 NPC251466
Remote Similarity 0.6547 NPC301713
Remote Similarity 0.6547 NPC189589
Remote Similarity 0.6547 NPC469622
Remote Similarity 0.6544 NPC473853
Remote Similarity 0.6544 NPC184651
Remote Similarity 0.6544 NPC476343
Remote Similarity 0.6544 NPC343720

Drug Structure

External Identifiers

TTD   DAP000485
DrugBank   DB01580
ChEMBL   CHEMBL546
IUPHAR/BPS   7255
PharmaGKB   PA10284
KEGG Drug  
PubChem CID   4631
ChEBI   91704
CAS Number  6452-71-7

Drug Properties

Molecular Weight  265.17
ALogP  -0.4448
MLogP  2.67
XLogP  2.348
HDA  2
HBD  2
Rotatable Bonds  12
TPSA  50.72
RO5 Violation  0