Drug Information

Drug ID:  NPD5865
Drug Name:  
Molecular Formula:  C24H24FNO3
Canonical SMILES:  CN(CC(=O)O)CC[C@H](c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1
Standard InCHI:  InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
Standard InCHIKey:  FDORQEIHOKEJNX-HSZRJFAPSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5865

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
Intermediate Similarity 0.8029 NPC255253
Intermediate Similarity 0.8 NPC321133
Intermediate Similarity 0.7899 NPC328267
Intermediate Similarity 0.7651 NPC204546
Intermediate Similarity 0.7616 NPC247298
Intermediate Similarity 0.7609 NPC263835
Intermediate Similarity 0.7586 NPC470392
Intermediate Similarity 0.7568 NPC318591
Intermediate Similarity 0.7568 NPC231163
Intermediate Similarity 0.7535 NPC320242
Intermediate Similarity 0.7516 NPC245974
Intermediate Similarity 0.7483 NPC218323
Intermediate Similarity 0.7467 NPC83289
Intermediate Similarity 0.7467 NPC189724
Intermediate Similarity 0.7467 NPC212850
Intermediate Similarity 0.7451 NPC313414
Intermediate Similarity 0.7413 NPC124776
Intermediate Similarity 0.7405 NPC56635
Intermediate Similarity 0.7405 NPC473855
Intermediate Similarity 0.7394 NPC211218
Intermediate Similarity 0.7379 NPC283079
Intermediate Similarity 0.7372 NPC182119
Intermediate Similarity 0.7343 NPC95733
Intermediate Similarity 0.7343 NPC62101
Intermediate Similarity 0.7292 NPC141739
Intermediate Similarity 0.7292 NPC136112
Intermediate Similarity 0.7292 NPC29477
Intermediate Similarity 0.7286 NPC256369
Intermediate Similarity 0.7286 NPC43275
Intermediate Similarity 0.7273 NPC307020
Intermediate Similarity 0.7246 NPC51345
Intermediate Similarity 0.723 NPC97870
Intermediate Similarity 0.723 NPC118419
Intermediate Similarity 0.723 NPC307123
Intermediate Similarity 0.723 NPC247018
Intermediate Similarity 0.7219 NPC193528
Intermediate Similarity 0.7185 NPC474272
Intermediate Similarity 0.7181 NPC325568
Intermediate Similarity 0.7179 NPC132771
Intermediate Similarity 0.7176 NPC300166
Intermediate Similarity 0.7174 NPC235250
Intermediate Similarity 0.7164 NPC157473
Intermediate Similarity 0.7164 NPC151530
Intermediate Similarity 0.7162 NPC249425
Intermediate Similarity 0.7153 NPC470887
Intermediate Similarity 0.7153 NPC279379
Intermediate Similarity 0.7143 NPC470393
Intermediate Similarity 0.7134 NPC254700
Intermediate Similarity 0.7132 NPC25067
Intermediate Similarity 0.7132 NPC231251
Intermediate Similarity 0.7132 NPC88868
Intermediate Similarity 0.7122 NPC296526
Intermediate Similarity 0.7117 NPC329640
Intermediate Similarity 0.7115 NPC9373
Intermediate Similarity 0.7115 NPC145304
Intermediate Similarity 0.7114 NPC274732
Intermediate Similarity 0.7113 NPC103916
Intermediate Similarity 0.7111 NPC201959
Intermediate Similarity 0.7108 NPC329717
Intermediate Similarity 0.7101 NPC35344
Intermediate Similarity 0.7101 NPC26524
Intermediate Similarity 0.7101 NPC141003
Intermediate Similarity 0.7091 NPC233650
Intermediate Similarity 0.709 NPC176971
Intermediate Similarity 0.709 NPC113457
Intermediate Similarity 0.7086 NPC11147
Intermediate Similarity 0.7083 NPC471315
Intermediate Similarity 0.7083 NPC471314
Intermediate Similarity 0.7083 NPC150026
Intermediate Similarity 0.7083 NPC164608
Intermediate Similarity 0.7081 NPC207675
Intermediate Similarity 0.7081 NPC212699
Intermediate Similarity 0.7078 NPC470925
Intermediate Similarity 0.7075 NPC172403
Intermediate Similarity 0.7068 NPC108875
Intermediate Similarity 0.7068 NPC38079
Intermediate Similarity 0.7068 NPC283546
Intermediate Similarity 0.7063 NPC131868
Intermediate Similarity 0.7048 NPC134858
Intermediate Similarity 0.7048 NPC169743
Intermediate Similarity 0.7048 NPC469505
Intermediate Similarity 0.7045 NPC307425
Intermediate Similarity 0.7042 NPC264976
Intermediate Similarity 0.7042 NPC234956
Intermediate Similarity 0.7039 NPC231884
Intermediate Similarity 0.7039 NPC106606
Intermediate Similarity 0.7039 NPC42793
Intermediate Similarity 0.7039 NPC167944
Intermediate Similarity 0.7025 NPC253883
Intermediate Similarity 0.7025 NPC144863
Intermediate Similarity 0.7025 NPC95075
Intermediate Similarity 0.7025 NPC476151
Intermediate Similarity 0.7025 NPC90844
Intermediate Similarity 0.7021 NPC263754
Intermediate Similarity 0.7021 NPC183154
Intermediate Similarity 0.7019 NPC26601
Intermediate Similarity 0.7018 NPC241704
Intermediate Similarity 0.7015 NPC128730
Intermediate Similarity 0.7015 NPC473393
Intermediate Similarity 0.7014 NPC251259
Intermediate Similarity 0.7013 NPC314682
Intermediate Similarity 0.7007 NPC63345
Intermediate Similarity 0.7007 NPC301713
Intermediate Similarity 0.7007 NPC95977
Intermediate Similarity 0.7006 NPC474858
Intermediate Similarity 0.7006 NPC189908
Intermediate Similarity 0.7006 NPC185838
Intermediate Similarity 0.7 NPC303370
Intermediate Similarity 0.7 NPC471953
Remote Similarity 0.6993 NPC120852
Remote Similarity 0.6992 NPC192596
Remote Similarity 0.6988 NPC473502
Remote Similarity 0.6986 NPC89630
Remote Similarity 0.6985 NPC75440
Remote Similarity 0.6985 NPC291837
Remote Similarity 0.6981 NPC214239
Remote Similarity 0.6981 NPC470935
Remote Similarity 0.6981 NPC471032
Remote Similarity 0.6978 NPC109241
Remote Similarity 0.6974 NPC184269
Remote Similarity 0.697 NPC107101
Remote Similarity 0.697 NPC472923
Remote Similarity 0.697 NPC316797
Remote Similarity 0.6968 NPC188163
Remote Similarity 0.6968 NPC474915
Remote Similarity 0.6968 NPC328750
Remote Similarity 0.6968 NPC213206
Remote Similarity 0.6966 NPC100099
Remote Similarity 0.6966 NPC36016
Remote Similarity 0.6964 NPC150879
Remote Similarity 0.6964 NPC210140
Remote Similarity 0.6963 NPC326801
Remote Similarity 0.6963 NPC326447
Remote Similarity 0.6962 NPC101255
Remote Similarity 0.6962 NPC296085
Remote Similarity 0.6962 NPC43716
Remote Similarity 0.6962 NPC475719
Remote Similarity 0.6959 NPC473993
Remote Similarity 0.6957 NPC166837
Remote Similarity 0.6954 NPC266425
Remote Similarity 0.6948 NPC131198
Remote Similarity 0.6948 NPC282087
Remote Similarity 0.6948 NPC231572
Remote Similarity 0.6948 NPC259800
Remote Similarity 0.6948 NPC317741
Remote Similarity 0.6948 NPC328137
Remote Similarity 0.6948 NPC241086
Remote Similarity 0.6948 NPC318984
Remote Similarity 0.6948 NPC318028
Remote Similarity 0.6946 NPC186617
Remote Similarity 0.6939 NPC81641
Remote Similarity 0.6939 NPC133407
Remote Similarity 0.6939 NPC28476
Remote Similarity 0.6937 NPC92541
Remote Similarity 0.6937 NPC211296
Remote Similarity 0.6937 NPC477565
Remote Similarity 0.6937 NPC103379
Remote Similarity 0.6937 NPC219162
Remote Similarity 0.6936 NPC32154
Remote Similarity 0.6936 NPC220961
Remote Similarity 0.6933 NPC287757
Remote Similarity 0.6933 NPC319320
Remote Similarity 0.6928 NPC469479
Remote Similarity 0.6928 NPC307682
Remote Similarity 0.6923 NPC138149
Remote Similarity 0.6923 NPC172253
Remote Similarity 0.6923 NPC163036
Remote Similarity 0.6923 NPC59561
Remote Similarity 0.6919 NPC32064
Remote Similarity 0.6919 NPC474470
Remote Similarity 0.6918 NPC321505
Remote Similarity 0.6918 NPC38761
Remote Similarity 0.6918 NPC115144
Remote Similarity 0.6918 NPC76465
Remote Similarity 0.6918 NPC324081
Remote Similarity 0.6918 NPC315807
Remote Similarity 0.6918 NPC277857
Remote Similarity 0.6918 NPC191376
Remote Similarity 0.6918 NPC179825
Remote Similarity 0.6917 NPC51633
Remote Similarity 0.6914 NPC276120
Remote Similarity 0.6913 NPC176590
Remote Similarity 0.6913 NPC210674
Remote Similarity 0.6913 NPC219923
Remote Similarity 0.6909 NPC221864
Remote Similarity 0.6906 NPC199462
Remote Similarity 0.6906 NPC280760
Remote Similarity 0.6905 NPC471568
Remote Similarity 0.6905 NPC473693
Remote Similarity 0.6903 NPC24635
Remote Similarity 0.6903 NPC470709
Remote Similarity 0.6901 NPC25648
Remote Similarity 0.6899 NPC130926
Remote Similarity 0.6897 NPC127389
Remote Similarity 0.6897 NPC290451
Remote Similarity 0.6894 NPC47672
Remote Similarity 0.6894 NPC274026
Remote Similarity 0.6893 NPC64140
Remote Similarity 0.6893 NPC174122
Remote Similarity 0.6893 NPC469437

Drug Structure

External Identifiers

TTD   DCL000690
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6604909
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  393.17
ALogP  -0.3273
MLogP  3.55
XLogP  7.657
HDA  3
HBD  1
Rotatable Bonds  12
TPSA  49.77
RO5 Violation  1