Drug Information

Drug ID:  NPD3167
Drug Name:  Levobetaxolol
Molecular Formula:  C18H29NO3
Canonical SMILES:  O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C
Standard InCHI:  InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Standard InCHIKey:  NWIUTZDMDHAVTP-KRWDZBQOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3167

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 0.9672 NPC320242
High Similarity 0.9355 NPC141739
High Similarity 0.9355 NPC136112
High Similarity 0.9219 NPC307123
High Similarity 0.9219 NPC247018
High Similarity 0.9219 NPC97870
High Similarity 0.8731 NPC318591
High Similarity 0.8731 NPC231163
Intermediate Similarity 0.8406 NPC204546
Intermediate Similarity 0.8168 NPC328267
Intermediate Similarity 0.816 NPC26524
Intermediate Similarity 0.7805 NPC470393
Intermediate Similarity 0.776 NPC97811
Intermediate Similarity 0.7724 NPC108875
Intermediate Similarity 0.7724 NPC38079
Intermediate Similarity 0.7698 NPC274732
Intermediate Similarity 0.7687 NPC298486
Intermediate Similarity 0.7642 NPC192596
Intermediate Similarity 0.7638 NPC46844
Intermediate Similarity 0.7615 NPC10286
Intermediate Similarity 0.7615 NPC213
Intermediate Similarity 0.7594 NPC321133
Intermediate Similarity 0.7578 NPC166837
Intermediate Similarity 0.7569 NPC212850
Intermediate Similarity 0.7569 NPC189724
Intermediate Similarity 0.7569 NPC83289
Intermediate Similarity 0.7561 NPC51633
Intermediate Similarity 0.754 NPC194034
Intermediate Similarity 0.752 NPC42383
Intermediate Similarity 0.7519 NPC115379
Intermediate Similarity 0.7516 NPC37205
Intermediate Similarity 0.7516 NPC160931
Intermediate Similarity 0.75 NPC255253
Intermediate Similarity 0.75 NPC326599
Intermediate Similarity 0.75 NPC329595
Intermediate Similarity 0.7463 NPC263835
Intermediate Similarity 0.7434 NPC206372
Intermediate Similarity 0.7434 NPC203424
Intermediate Similarity 0.7402 NPC251306
Intermediate Similarity 0.7398 NPC100870
Intermediate Similarity 0.7388 NPC256369
Intermediate Similarity 0.7386 NPC233926
Intermediate Similarity 0.7385 NPC165646
Intermediate Similarity 0.7383 NPC245974
Intermediate Similarity 0.7372 NPC158900
Intermediate Similarity 0.7372 NPC13020
Intermediate Similarity 0.7372 NPC140359
Intermediate Similarity 0.7368 NPC120075
Intermediate Similarity 0.7365 NPC247298
Intermediate Similarity 0.7344 NPC146530
Intermediate Similarity 0.7328 NPC301735
Intermediate Similarity 0.7324 NPC208757
Intermediate Similarity 0.7324 NPC471953
Intermediate Similarity 0.7324 NPC470392
Intermediate Similarity 0.7319 NPC95733
Intermediate Similarity 0.7319 NPC62101
Intermediate Similarity 0.7308 NPC55300
Intermediate Similarity 0.7308 NPC21890
Intermediate Similarity 0.7303 NPC47672
Intermediate Similarity 0.7299 NPC71090
Intermediate Similarity 0.7287 NPC474272
Intermediate Similarity 0.7287 NPC24777
Intermediate Similarity 0.7266 NPC186469
Intermediate Similarity 0.7266 NPC29477
Intermediate Similarity 0.7259 NPC163036
Intermediate Similarity 0.7258 NPC471576
Intermediate Similarity 0.7246 NPC307020
Intermediate Similarity 0.7246 NPC211218
Intermediate Similarity 0.7244 NPC8302
Intermediate Similarity 0.7244 NPC473855
Intermediate Similarity 0.7239 NPC137096
Intermediate Similarity 0.7239 NPC164386
Intermediate Similarity 0.7231 NPC137685
Intermediate Similarity 0.7231 NPC95977
Intermediate Similarity 0.7226 NPC290451
Intermediate Similarity 0.7226 NPC211992
Intermediate Similarity 0.7226 NPC127389
Intermediate Similarity 0.7215 NPC469479
Intermediate Similarity 0.7214 NPC236347
Intermediate Similarity 0.7214 NPC323775
Intermediate Similarity 0.7194 NPC94276
Intermediate Similarity 0.7194 NPC114901
Intermediate Similarity 0.7194 NPC293701
Intermediate Similarity 0.7194 NPC48990
Intermediate Similarity 0.7194 NPC109822
Intermediate Similarity 0.7192 NPC253429
Intermediate Similarity 0.7185 NPC101503
Intermediate Similarity 0.7183 NPC262641
Intermediate Similarity 0.7177 NPC313918
Intermediate Similarity 0.7165 NPC304761
Intermediate Similarity 0.7165 NPC147000
Intermediate Similarity 0.7165 NPC150254
Intermediate Similarity 0.7165 NPC226778
Intermediate Similarity 0.7164 NPC258992
Intermediate Similarity 0.7163 NPC198798
Intermediate Similarity 0.7162 NPC195814
Intermediate Similarity 0.7162 NPC323204
Intermediate Similarity 0.7161 NPC2295
Intermediate Similarity 0.7161 NPC477564
Intermediate Similarity 0.7154 NPC145638
Intermediate Similarity 0.7154 NPC290566
Intermediate Similarity 0.7153 NPC318357
Intermediate Similarity 0.7153 NPC198734
Intermediate Similarity 0.7153 NPC469412
Intermediate Similarity 0.7153 NPC83279
Intermediate Similarity 0.7143 NPC235250
Intermediate Similarity 0.7143 NPC76213
Intermediate Similarity 0.7143 NPC194519
Intermediate Similarity 0.7143 NPC277669
Intermediate Similarity 0.7133 NPC294249
Intermediate Similarity 0.7132 NPC43275
Intermediate Similarity 0.7132 NPC258171
Intermediate Similarity 0.7132 NPC24474
Intermediate Similarity 0.7132 NPC311595
Intermediate Similarity 0.7124 NPC60538
Intermediate Similarity 0.7124 NPC207824
Intermediate Similarity 0.7122 NPC217277
Intermediate Similarity 0.7113 NPC283079
Intermediate Similarity 0.7111 NPC323948
Intermediate Similarity 0.7095 NPC168861
Intermediate Similarity 0.7092 NPC178284
Intermediate Similarity 0.7092 NPC58607
Intermediate Similarity 0.7092 NPC191037
Intermediate Similarity 0.709 NPC303370
Intermediate Similarity 0.7087 NPC305205
Intermediate Similarity 0.7083 NPC118419
Intermediate Similarity 0.708 NPC60589
Intermediate Similarity 0.708 NPC469708
Intermediate Similarity 0.7075 NPC193528
Intermediate Similarity 0.7075 NPC41473
Intermediate Similarity 0.7075 NPC14600
Intermediate Similarity 0.7075 NPC160607
Intermediate Similarity 0.7075 NPC204848
Intermediate Similarity 0.7075 NPC312770
Intermediate Similarity 0.7075 NPC474673
Intermediate Similarity 0.7063 NPC293871
Intermediate Similarity 0.7063 NPC124433
Intermediate Similarity 0.7059 NPC474040
Intermediate Similarity 0.7059 NPC474214
Intermediate Similarity 0.7054 NPC113457
Intermediate Similarity 0.7051 NPC156311
Intermediate Similarity 0.705 NPC476142
Intermediate Similarity 0.7049 NPC321956
Intermediate Similarity 0.7042 NPC292056
Intermediate Similarity 0.7042 NPC291847
Intermediate Similarity 0.7042 NPC153990
Intermediate Similarity 0.7042 NPC111247
Intermediate Similarity 0.7042 NPC147821
Intermediate Similarity 0.7042 NPC183181
Intermediate Similarity 0.7042 NPC157740
Intermediate Similarity 0.7042 NPC163332
Intermediate Similarity 0.7042 NPC319625
Intermediate Similarity 0.7042 NPC191302
Intermediate Similarity 0.7042 NPC41706
Intermediate Similarity 0.7042 NPC474119
Intermediate Similarity 0.7042 NPC118787
Intermediate Similarity 0.7042 NPC99798
Intermediate Similarity 0.7039 NPC132771
Intermediate Similarity 0.7034 NPC160692
Intermediate Similarity 0.7029 NPC269242
Intermediate Similarity 0.7029 NPC207613
Intermediate Similarity 0.7019 NPC469505
Intermediate Similarity 0.7008 NPC327226
Intermediate Similarity 0.7007 NPC135961
Intermediate Similarity 0.7007 NPC283760
Intermediate Similarity 0.7007 NPC474320
Intermediate Similarity 0.7 NPC151530
Intermediate Similarity 0.7 NPC157473
Intermediate Similarity 0.7 NPC227894
Remote Similarity 0.6993 NPC324081
Remote Similarity 0.6993 NPC246974
Remote Similarity 0.6993 NPC471306
Remote Similarity 0.6993 NPC147247
Remote Similarity 0.6993 NPC471321
Remote Similarity 0.6985 NPC86947
Remote Similarity 0.6978 NPC262156
Remote Similarity 0.6978 NPC476343
Remote Similarity 0.6978 NPC470212
Remote Similarity 0.6978 NPC473853
Remote Similarity 0.6978 NPC312675
Remote Similarity 0.6978 NPC343720
Remote Similarity 0.6978 NPC470804
Remote Similarity 0.6978 NPC184651
Remote Similarity 0.6978 NPC113865
Remote Similarity 0.6978 NPC324571
Remote Similarity 0.6978 NPC54872
Remote Similarity 0.6974 NPC313414
Remote Similarity 0.6972 NPC322366
Remote Similarity 0.6972 NPC218323
Remote Similarity 0.6972 NPC301713
Remote Similarity 0.6972 NPC156944
Remote Similarity 0.697 NPC231251
Remote Similarity 0.697 NPC88868
Remote Similarity 0.697 NPC25067
Remote Similarity 0.6968 NPC469711
Remote Similarity 0.6967 NPC71853
Remote Similarity 0.6967 NPC318429
Remote Similarity 0.6957 NPC41801
Remote Similarity 0.6954 NPC178466
Remote Similarity 0.6954 NPC78530

Drug Structure

External Identifiers

TTD   DAP001396
DrugBank   DB09351
ChEMBL   CHEMBL1201274
IUPHAR/BPS   8035
PharmaGKB  
KEGG Drug  
PubChem CID   60657
ChEBI   59254
CAS Number  93221-48-8

Drug Properties

Molecular Weight  307.21
ALogP  -0.68
MLogP  3
XLogP  2.772
HDA  3
HBD  2
Rotatable Bonds  14
TPSA  50.72
RO5 Violation  1