Drug Information

Drug ID:  NPD2429
Drug Name:  Fluoxetine
Molecular Formula:  C17H18F3NO
Canonical SMILES:  CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Standard InCHI:  InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
Standard InCHIKey:  RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2429

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 NPC328267
High Similarity 0.8571 NPC26524
Intermediate Similarity 0.8281 NPC320242
Intermediate Similarity 0.8205 NPC42383
Intermediate Similarity 0.8151 NPC97811
Intermediate Similarity 0.8095 NPC263835
Intermediate Similarity 0.8 NPC136112
Intermediate Similarity 0.8 NPC141739
Intermediate Similarity 0.7953 NPC321133
Intermediate Similarity 0.7917 NPC186469
Intermediate Similarity 0.791 NPC247018
Intermediate Similarity 0.791 NPC97870
Intermediate Similarity 0.791 NPC307123
Intermediate Similarity 0.7907 NPC298486
Intermediate Similarity 0.7883 NPC318591
Intermediate Similarity 0.7883 NPC231163
Intermediate Similarity 0.7846 NPC255253
Intermediate Similarity 0.7752 NPC318357
Intermediate Similarity 0.7734 NPC256369
Intermediate Similarity 0.7734 NPC43275
Intermediate Similarity 0.771 NPC211218
Intermediate Similarity 0.771 NPC217277
Intermediate Similarity 0.7661 NPC21890
Intermediate Similarity 0.7652 NPC62101
Intermediate Similarity 0.7652 NPC95733
Intermediate Similarity 0.7627 NPC471576
Intermediate Similarity 0.7603 NPC470393
Intermediate Similarity 0.7594 NPC29477
Intermediate Similarity 0.7578 NPC120075
Intermediate Similarity 0.7541 NPC326801
Intermediate Similarity 0.7521 NPC108875
Intermediate Similarity 0.7521 NPC38079
Intermediate Similarity 0.7518 NPC189724
Intermediate Similarity 0.7518 NPC212850
Intermediate Similarity 0.7518 NPC83289
Intermediate Similarity 0.75 NPC474272
Intermediate Similarity 0.7483 NPC78530
Intermediate Similarity 0.7483 NPC47672
Intermediate Similarity 0.7466 NPC76412
Intermediate Similarity 0.7465 NPC323204
Intermediate Similarity 0.7465 NPC204546
Intermediate Similarity 0.7459 NPC473855
Intermediate Similarity 0.745 NPC233926
Intermediate Similarity 0.745 NPC156311
Intermediate Similarity 0.7438 NPC192596
Intermediate Similarity 0.7426 NPC283079
Intermediate Similarity 0.7422 NPC303370
Intermediate Similarity 0.7422 NPC213
Intermediate Similarity 0.7422 NPC10286
Intermediate Similarity 0.7414 NPC321956
Intermediate Similarity 0.7407 NPC218323
Intermediate Similarity 0.7398 NPC113457
Intermediate Similarity 0.7388 NPC272463
Intermediate Similarity 0.7383 NPC203424
Intermediate Similarity 0.7383 NPC206372
Intermediate Similarity 0.7381 NPC166837
Intermediate Similarity 0.7372 NPC262641
Intermediate Similarity 0.736 NPC24777
Intermediate Similarity 0.7357 NPC237227
Intermediate Similarity 0.7355 NPC51633
Intermediate Similarity 0.7355 NPC300166
Intermediate Similarity 0.7353 NPC172403
Intermediate Similarity 0.7333 NPC110131
Intermediate Similarity 0.7328 NPC71853
Intermediate Similarity 0.7328 NPC59561
Intermediate Similarity 0.7328 NPC172253
Intermediate Similarity 0.731 NPC247298
Intermediate Similarity 0.7288 NPC471581
Intermediate Similarity 0.7279 NPC301713
Intermediate Similarity 0.7273 NPC316797
Intermediate Similarity 0.7266 NPC471953
Intermediate Similarity 0.7266 NPC118419
Intermediate Similarity 0.725 NPC313918
Intermediate Similarity 0.725 NPC95755
Intermediate Similarity 0.7241 NPC259134
Intermediate Similarity 0.7241 NPC8002
Intermediate Similarity 0.7241 NPC99886
Intermediate Similarity 0.7241 NPC177844
Intermediate Similarity 0.7239 NPC471314
Intermediate Similarity 0.7239 NPC471315
Intermediate Similarity 0.7236 NPC241224
Intermediate Similarity 0.7214 NPC160692
Intermediate Similarity 0.7211 NPC245974
Intermediate Similarity 0.72 NPC157473
Intermediate Similarity 0.72 NPC151530
Intermediate Similarity 0.719 NPC100870
Intermediate Similarity 0.7185 NPC13020
Intermediate Similarity 0.7185 NPC140359
Intermediate Similarity 0.7176 NPC323948
Intermediate Similarity 0.7174 NPC471321
Intermediate Similarity 0.7174 NPC471306
Intermediate Similarity 0.7165 NPC95977
Intermediate Similarity 0.7165 NPC231251
Intermediate Similarity 0.7165 NPC475852
Intermediate Similarity 0.7165 NPC25067
Intermediate Similarity 0.7165 NPC88868
Intermediate Similarity 0.7164 NPC211992
Intermediate Similarity 0.7143 NPC146530
Intermediate Similarity 0.7143 NPC75440
Intermediate Similarity 0.7143 NPC274732
Intermediate Similarity 0.7143 NPC201959
Intermediate Similarity 0.7143 NPC470392
Intermediate Similarity 0.7133 NPC253429
Intermediate Similarity 0.7132 NPC105513
Intermediate Similarity 0.7123 NPC135349
Intermediate Similarity 0.712 NPC92623
Intermediate Similarity 0.712 NPC135464
Intermediate Similarity 0.712 NPC176971
Intermediate Similarity 0.7113 NPC11147
Intermediate Similarity 0.7111 NPC150026
Intermediate Similarity 0.7111 NPC71090
Intermediate Similarity 0.7111 NPC36016
Intermediate Similarity 0.7111 NPC100099
Intermediate Similarity 0.7111 NPC261661
Intermediate Similarity 0.7109 NPC266932
Intermediate Similarity 0.7107 NPC470161
Intermediate Similarity 0.7101 NPC251571
Intermediate Similarity 0.7097 NPC283546
Intermediate Similarity 0.7095 NPC296085
Intermediate Similarity 0.7092 NPC325568
Intermediate Similarity 0.7092 NPC266425
Intermediate Similarity 0.709 NPC83279
Intermediate Similarity 0.7087 NPC145638
Intermediate Similarity 0.7087 NPC290566
Intermediate Similarity 0.7083 NPC128877
Intermediate Similarity 0.7073 NPC307425
Intermediate Similarity 0.7071 NPC329595
Intermediate Similarity 0.7071 NPC114102
Intermediate Similarity 0.7071 NPC326599
Intermediate Similarity 0.7068 NPC163036
Intermediate Similarity 0.7067 NPC60538
Intermediate Similarity 0.7067 NPC207824
Intermediate Similarity 0.7067 NPC258222
Intermediate Similarity 0.7063 NPC42793
Intermediate Similarity 0.7063 NPC167944
Intermediate Similarity 0.7063 NPC231884
Intermediate Similarity 0.7063 NPC307682
Intermediate Similarity 0.7063 NPC258171
Intermediate Similarity 0.7059 NPC76465
Intermediate Similarity 0.7059 NPC279379
Intermediate Similarity 0.7059 NPC38761
Intermediate Similarity 0.7055 NPC308571
Intermediate Similarity 0.705 NPC155838
Intermediate Similarity 0.7049 NPC125732
Intermediate Similarity 0.7045 NPC137096
Intermediate Similarity 0.704 NPC475269
Intermediate Similarity 0.704 NPC128730
Intermediate Similarity 0.704 NPC233396
Intermediate Similarity 0.704 NPC154899
Intermediate Similarity 0.704 NPC8302
Intermediate Similarity 0.704 NPC473393
Intermediate Similarity 0.7037 NPC290451
Intermediate Similarity 0.7037 NPC127389
Intermediate Similarity 0.7032 NPC22014
Intermediate Similarity 0.7031 NPC46844
Intermediate Similarity 0.7027 NPC313414
Intermediate Similarity 0.7023 NPC51345
Intermediate Similarity 0.7021 NPC214869
Intermediate Similarity 0.7015 NPC17388
Intermediate Similarity 0.7015 NPC53596
Intermediate Similarity 0.7015 NPC41801
Intermediate Similarity 0.7015 NPC160120
Intermediate Similarity 0.7015 NPC471308
Intermediate Similarity 0.7015 NPC289330
Intermediate Similarity 0.7014 NPC160607
Intermediate Similarity 0.7014 NPC193528
Intermediate Similarity 0.7014 NPC14600
Intermediate Similarity 0.7014 NPC312770
Intermediate Similarity 0.7014 NPC204848
Intermediate Similarity 0.7014 NPC474673
Intermediate Similarity 0.7014 NPC41473
Intermediate Similarity 0.7008 NPC291837
Intermediate Similarity 0.7008 NPC309982
Intermediate Similarity 0.7007 NPC109822
Intermediate Similarity 0.7007 NPC106914
Intermediate Similarity 0.7007 NPC48990
Intermediate Similarity 0.7007 NPC94276
Intermediate Similarity 0.7007 NPC246648
Intermediate Similarity 0.7007 NPC86502
Intermediate Similarity 0.7007 NPC256015
Intermediate Similarity 0.7007 NPC197351
Intermediate Similarity 0.7007 NPC134195
Intermediate Similarity 0.7007 NPC294156
Intermediate Similarity 0.7007 NPC114901
Intermediate Similarity 0.7007 NPC293701
Intermediate Similarity 0.7 NPC165106
Intermediate Similarity 0.7 NPC35961
Intermediate Similarity 0.7 NPC195749
Intermediate Similarity 0.7 NPC35344
Intermediate Similarity 0.7 NPC52029
Intermediate Similarity 0.7 NPC141003
Remote Similarity 0.6993 NPC477564
Remote Similarity 0.6993 NPC2295
Remote Similarity 0.6992 NPC289381
Remote Similarity 0.6992 NPC155847
Remote Similarity 0.6992 NPC474214
Remote Similarity 0.6992 NPC107101
Remote Similarity 0.6984 NPC326447
Remote Similarity 0.698 NPC71629
Remote Similarity 0.698 NPC473934

Drug Structure

External Identifiers

TTD   DAP000186
DrugBank   DB00472
ChEMBL   CHEMBL41
IUPHAR/BPS   203
PharmaGKB   PA449673
KEGG Drug   D00823
PubChem CID   3386
ChEBI   86990
CAS Number  54910-89-3

Drug Properties

Molecular Weight  309.13
ALogP  0.2991
MLogP  2.78
XLogP  6.383
HDA  1
HBD  1
Rotatable Bonds  11
TPSA  21.26
RO5 Violation  1