Drug Information

Drug ID:  NPD4162
Drug Name:  Bevantolol
Molecular Formula:  C20H27NO4
Canonical SMILES:  COc1cc(CCNCC(COc2cccc(c2)C)O)ccc1OC
Standard InCHI:  InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3
Standard InCHIKey:  HXLAFSUPPDYFEO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD4162

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 0.8647 NPC298486
High Similarity 0.8593 NPC320242
High Similarity 0.8582 NPC231163
High Similarity 0.8582 NPC318591
Intermediate Similarity 0.8403 NPC323204
Intermediate Similarity 0.8321 NPC136112
Intermediate Similarity 0.8321 NPC141739
Intermediate Similarity 0.8286 NPC326599
Intermediate Similarity 0.8286 NPC329595
Intermediate Similarity 0.8235 NPC160931
Intermediate Similarity 0.8235 NPC37205
Intermediate Similarity 0.8227 NPC307123
Intermediate Similarity 0.8227 NPC247018
Intermediate Similarity 0.8227 NPC97870
Intermediate Similarity 0.8201 NPC172403
Intermediate Similarity 0.8195 NPC120075
Intermediate Similarity 0.8194 NPC204848
Intermediate Similarity 0.8194 NPC160607
Intermediate Similarity 0.8194 NPC312770
Intermediate Similarity 0.8194 NPC41473
Intermediate Similarity 0.8194 NPC14600
Intermediate Similarity 0.8175 NPC328267
Intermediate Similarity 0.8175 NPC13020
Intermediate Similarity 0.8175 NPC140359
Intermediate Similarity 0.8151 NPC204546
Intermediate Similarity 0.8129 NPC301713
Intermediate Similarity 0.8105 NPC477564
Intermediate Similarity 0.8105 NPC2295
Intermediate Similarity 0.8102 NPC71090
Intermediate Similarity 0.8099 NPC214869
Intermediate Similarity 0.8092 NPC76213
Intermediate Similarity 0.8092 NPC277669
Intermediate Similarity 0.8085 NPC262641
Intermediate Similarity 0.8079 NPC60538
Intermediate Similarity 0.8079 NPC207824
Intermediate Similarity 0.8067 NPC115144
Intermediate Similarity 0.8067 NPC277857
Intermediate Similarity 0.8056 NPC11147
Intermediate Similarity 0.8042 NPC160692
Intermediate Similarity 0.8028 NPC114102
Intermediate Similarity 0.8014 NPC299583
Intermediate Similarity 0.8 NPC167944
Intermediate Similarity 0.8 NPC323775
Intermediate Similarity 0.8 NPC236347
Intermediate Similarity 0.8 NPC42793
Intermediate Similarity 0.8 NPC231884
Intermediate Similarity 0.7986 NPC48990
Intermediate Similarity 0.7986 NPC94276
Intermediate Similarity 0.7986 NPC109822
Intermediate Similarity 0.7986 NPC293701
Intermediate Similarity 0.7986 NPC114901
Intermediate Similarity 0.7975 NPC293871
Intermediate Similarity 0.7975 NPC124433
Intermediate Similarity 0.7958 NPC195749
Intermediate Similarity 0.7958 NPC35961
Intermediate Similarity 0.7958 NPC52029
Intermediate Similarity 0.7945 NPC253429
Intermediate Similarity 0.7929 NPC194519
Intermediate Similarity 0.7922 NPC203424
Intermediate Similarity 0.7922 NPC206372
Intermediate Similarity 0.7899 NPC127389
Intermediate Similarity 0.7899 NPC290451
Intermediate Similarity 0.7895 NPC470935
Intermediate Similarity 0.7895 NPC471032
Intermediate Similarity 0.7887 NPC155838
Intermediate Similarity 0.7872 NPC178284
Intermediate Similarity 0.7872 NPC191037
Intermediate Similarity 0.7872 NPC58607
Intermediate Similarity 0.7868 NPC474214
Intermediate Similarity 0.7867 NPC294249
Intermediate Similarity 0.7848 NPC158900
Intermediate Similarity 0.7847 NPC118419
Intermediate Similarity 0.7826 NPC207613
Intermediate Similarity 0.7823 NPC193528
Intermediate Similarity 0.7817 NPC153990
Intermediate Similarity 0.7817 NPC183181
Intermediate Similarity 0.7817 NPC147821
Intermediate Similarity 0.7817 NPC111247
Intermediate Similarity 0.7817 NPC118787
Intermediate Similarity 0.7817 NPC41706
Intermediate Similarity 0.7817 NPC251571
Intermediate Similarity 0.7817 NPC292056
Intermediate Similarity 0.7817 NPC319625
Intermediate Similarity 0.7817 NPC474119
Intermediate Similarity 0.7817 NPC163332
Intermediate Similarity 0.781 NPC474320
Intermediate Similarity 0.7791 NPC108434
Intermediate Similarity 0.7791 NPC475215
Intermediate Similarity 0.7785 NPC328750
Intermediate Similarity 0.7785 NPC213206
Intermediate Similarity 0.7785 NPC474915
Intermediate Similarity 0.7785 NPC188163
Intermediate Similarity 0.7778 NPC476571
Intermediate Similarity 0.7778 NPC428
Intermediate Similarity 0.7778 NPC246587
Intermediate Similarity 0.7778 NPC24233
Intermediate Similarity 0.7778 NPC147390
Intermediate Similarity 0.7778 NPC135538
Intermediate Similarity 0.777 NPC262156
Intermediate Similarity 0.777 NPC113865
Intermediate Similarity 0.777 NPC54872
Intermediate Similarity 0.777 NPC184651
Intermediate Similarity 0.777 NPC343720
Intermediate Similarity 0.777 NPC312675
Intermediate Similarity 0.777 NPC473853
Intermediate Similarity 0.777 NPC324571
Intermediate Similarity 0.777 NPC470212
Intermediate Similarity 0.777 NPC211992
Intermediate Similarity 0.7763 NPC473934
Intermediate Similarity 0.7756 NPC475557
Intermediate Similarity 0.775 NPC475393
Intermediate Similarity 0.7737 NPC474040
Intermediate Similarity 0.7737 NPC85276
Intermediate Similarity 0.773 NPC105513
Intermediate Similarity 0.7727 NPC103379
Intermediate Similarity 0.7727 NPC477565
Intermediate Similarity 0.7722 NPC129603
Intermediate Similarity 0.7718 NPC314682
Intermediate Similarity 0.7712 NPC321505
Intermediate Similarity 0.7712 NPC476151
Intermediate Similarity 0.7712 NPC191376
Intermediate Similarity 0.7712 NPC179825
Intermediate Similarity 0.7708 NPC160193
Intermediate Similarity 0.7708 NPC226788
Intermediate Similarity 0.7708 NPC5851
Intermediate Similarity 0.7708 NPC285339
Intermediate Similarity 0.7708 NPC273295
Intermediate Similarity 0.7708 NPC190629
Intermediate Similarity 0.7708 NPC3439
Intermediate Similarity 0.7708 NPC470258
Intermediate Similarity 0.7708 NPC222004
Intermediate Similarity 0.7708 NPC202582
Intermediate Similarity 0.7708 NPC218856
Intermediate Similarity 0.7708 NPC86030
Intermediate Similarity 0.7708 NPC210623
Intermediate Similarity 0.7697 NPC329969
Intermediate Similarity 0.7697 NPC185838
Intermediate Similarity 0.7692 NPC186898
Intermediate Similarity 0.7692 NPC114124
Intermediate Similarity 0.7687 NPC165646
Intermediate Similarity 0.7677 NPC274026
Intermediate Similarity 0.7676 NPC318965
Intermediate Similarity 0.7673 NPC92191
Intermediate Similarity 0.7673 NPC59028
Intermediate Similarity 0.7664 NPC137096
Intermediate Similarity 0.7664 NPC86947
Intermediate Similarity 0.766 NPC471693
Intermediate Similarity 0.7655 NPC472338
Intermediate Similarity 0.764 NPC233650
Intermediate Similarity 0.7639 NPC72529
Intermediate Similarity 0.7635 NPC131204
Intermediate Similarity 0.7635 NPC301050
Intermediate Similarity 0.763 NPC26524
Intermediate Similarity 0.7626 NPC263835
Intermediate Similarity 0.7626 NPC321133
Intermediate Similarity 0.7625 NPC18402
Intermediate Similarity 0.7613 NPC182119
Intermediate Similarity 0.7612 NPC55300
Intermediate Similarity 0.761 NPC315707
Intermediate Similarity 0.761 NPC65490
Intermediate Similarity 0.761 NPC40389
Intermediate Similarity 0.761 NPC148014
Intermediate Similarity 0.761 NPC78359
Intermediate Similarity 0.7609 NPC470626
Intermediate Similarity 0.7607 NPC210140
Intermediate Similarity 0.7603 NPC469613
Intermediate Similarity 0.7603 NPC130595
Intermediate Similarity 0.7603 NPC472597
Intermediate Similarity 0.7603 NPC469625
Intermediate Similarity 0.7603 NPC30043
Intermediate Similarity 0.7603 NPC93882
Intermediate Similarity 0.7597 NPC476144
Intermediate Similarity 0.7597 NPC106295
Intermediate Similarity 0.7597 NPC16107
Intermediate Similarity 0.7597 NPC51957
Intermediate Similarity 0.7597 NPC210437
Intermediate Similarity 0.7595 NPC469817
Intermediate Similarity 0.7595 NPC80129
Intermediate Similarity 0.7595 NPC189266
Intermediate Similarity 0.7595 NPC127674
Intermediate Similarity 0.7595 NPC249797
Intermediate Similarity 0.7595 NPC193949
Intermediate Similarity 0.7595 NPC295691
Intermediate Similarity 0.7595 NPC172765
Intermediate Similarity 0.7595 NPC5238
Intermediate Similarity 0.7595 NPC184026
Intermediate Similarity 0.7595 NPC204828
Intermediate Similarity 0.7595 NPC276588
Intermediate Similarity 0.7595 NPC54379
Intermediate Similarity 0.7595 NPC2413
Intermediate Similarity 0.7595 NPC187022
Intermediate Similarity 0.7595 NPC278799
Intermediate Similarity 0.7595 NPC207757
Intermediate Similarity 0.7595 NPC110416
Intermediate Similarity 0.7595 NPC39701
Intermediate Similarity 0.7593 NPC284183
Intermediate Similarity 0.7593 NPC134858
Intermediate Similarity 0.7593 NPC121275
Intermediate Similarity 0.7593 NPC4138
Intermediate Similarity 0.7589 NPC85488

Drug Structure

External Identifiers

TTD   DAP000897
DrugBank   DB01295
ChEMBL   CHEMBL314010
IUPHAR/BPS  
PharmaGKB   PA164743236
KEGG Drug  
PubChem CID   2372
ChEBI   238698
CAS Number  59170-23-9

Drug Properties

Molecular Weight  345.19
ALogP  -0.2564
MLogP  3.11
XLogP  3.573
HDA  2
HBD  2
Rotatable Bonds  14
TPSA  59.95
RO5 Violation  0