Drug Information

Drug ID:  NPD3808
Drug Name:  
Molecular Formula:  C20H18F3NO4
Canonical SMILES:  O=C1c2ccccc2CN1[C@@H]1c2cc(ccc2OC([C@H]1O)(C)C)OC(F)(F)F
Standard InCHI:  InChI=1S/C20H18F3NO4/c1-19(2)17(25)16(24-10-11-5-3-4-6-13(11)18(24)26)14-9-12(27-20(21,22)23)7-8-15(14)28-19/h3-9,16-17,25H,10H2,1-2H3/t16-,17+/m1/s1
Standard InCHIKey:  ZORATYFUTXFLJS-SJORKVTESA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3808

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 0.7821 NPC469479
Intermediate Similarity 0.7796 NPC99723
Intermediate Similarity 0.7637 NPC469505
Intermediate Similarity 0.761 NPC314914
Intermediate Similarity 0.761 NPC478046
Intermediate Similarity 0.761 NPC328856
Intermediate Similarity 0.761 NPC478047
Intermediate Similarity 0.761 NPC180210
Intermediate Similarity 0.761 NPC321226
Intermediate Similarity 0.7573 NPC284236
Intermediate Similarity 0.7573 NPC316368
Intermediate Similarity 0.7561 NPC478048
Intermediate Similarity 0.7526 NPC94499
Intermediate Similarity 0.75 NPC170101
Intermediate Similarity 0.75 NPC222524
Intermediate Similarity 0.75 NPC24228
Intermediate Similarity 0.7474 NPC473562
Intermediate Similarity 0.7462 NPC124302
Intermediate Similarity 0.7462 NPC70290
Intermediate Similarity 0.7462 NPC215098
Intermediate Similarity 0.7462 NPC46744
Intermediate Similarity 0.7462 NPC73020
Intermediate Similarity 0.7462 NPC14622
Intermediate Similarity 0.7461 NPC208890
Intermediate Similarity 0.7449 NPC477258
Intermediate Similarity 0.7409 NPC162694
Intermediate Similarity 0.7409 NPC477259
Intermediate Similarity 0.7409 NPC169387
Intermediate Similarity 0.7404 NPC82056
Intermediate Similarity 0.7403 NPC133817
Intermediate Similarity 0.7403 NPC476443
Intermediate Similarity 0.74 NPC328700
Intermediate Similarity 0.74 NPC119818
Intermediate Similarity 0.74 NPC2173
Intermediate Similarity 0.74 NPC202771
Intermediate Similarity 0.7394 NPC2314
Intermediate Similarity 0.7391 NPC38964
Intermediate Similarity 0.7387 NPC226652
Intermediate Similarity 0.7387 NPC72788
Intermediate Similarity 0.7387 NPC314100
Intermediate Similarity 0.7387 NPC120671
Intermediate Similarity 0.7366 NPC284842
Intermediate Similarity 0.736 NPC33256
Intermediate Similarity 0.7351 NPC35345
Intermediate Similarity 0.733 NPC32154
Intermediate Similarity 0.7316 NPC241704
Intermediate Similarity 0.7316 NPC35680
Intermediate Similarity 0.7313 NPC286135
Intermediate Similarity 0.7312 NPC474858
Intermediate Similarity 0.7306 NPC116007
Intermediate Similarity 0.7302 NPC232386
Intermediate Similarity 0.7302 NPC152680
Intermediate Similarity 0.7302 NPC190783
Intermediate Similarity 0.7277 NPC329816
Intermediate Similarity 0.7273 NPC150879
Intermediate Similarity 0.725 NPC267414
Intermediate Similarity 0.7247 NPC223873
Intermediate Similarity 0.7243 NPC153631
Intermediate Similarity 0.724 NPC27887
Intermediate Similarity 0.7238 NPC475890
Intermediate Similarity 0.7231 NPC230098
Intermediate Similarity 0.7228 NPC59028
Intermediate Similarity 0.7228 NPC92191
Intermediate Similarity 0.7225 NPC474470
Intermediate Similarity 0.7211 NPC329992
Intermediate Similarity 0.7208 NPC226708
Intermediate Similarity 0.7194 NPC283207
Intermediate Similarity 0.7194 NPC141440
Intermediate Similarity 0.7193 NPC266425
Intermediate Similarity 0.7189 NPC135006
Intermediate Similarity 0.7189 NPC477833
Intermediate Similarity 0.7186 NPC308709
Intermediate Similarity 0.7178 NPC316164
Intermediate Similarity 0.7176 NPC315914
Intermediate Similarity 0.7174 NPC129603
Intermediate Similarity 0.7158 NPC67978
Intermediate Similarity 0.7158 NPC225597
Intermediate Similarity 0.7158 NPC227683
Intermediate Similarity 0.7158 NPC477640
Intermediate Similarity 0.7158 NPC303581
Intermediate Similarity 0.7158 NPC470739
Intermediate Similarity 0.715 NPC66909
Intermediate Similarity 0.715 NPC474745
Intermediate Similarity 0.715 NPC220961
Intermediate Similarity 0.7143 NPC67346
Intermediate Similarity 0.7143 NPC158148
Intermediate Similarity 0.7143 NPC266176
Intermediate Similarity 0.7143 NPC83198
Intermediate Similarity 0.7143 NPC204908
Intermediate Similarity 0.7143 NPC471073
Intermediate Similarity 0.7143 NPC290759
Intermediate Similarity 0.7143 NPC270811
Intermediate Similarity 0.7143 NPC82533
Intermediate Similarity 0.7129 NPC315253
Intermediate Similarity 0.7128 NPC83511
Intermediate Similarity 0.7128 NPC329717
Intermediate Similarity 0.7123 NPC316292
Intermediate Similarity 0.7122 NPC80472
Intermediate Similarity 0.7114 NPC293624
Intermediate Similarity 0.7112 NPC233650
Intermediate Similarity 0.7107 NPC237579
Intermediate Similarity 0.7105 NPC474475
Intermediate Similarity 0.7103 NPC148124
Intermediate Similarity 0.7098 NPC474325
Intermediate Similarity 0.7097 NPC205167
Intermediate Similarity 0.7097 NPC177742
Intermediate Similarity 0.7097 NPC249274
Intermediate Similarity 0.7094 NPC64576
Intermediate Similarity 0.7094 NPC254045
Intermediate Similarity 0.7094 NPC201055
Intermediate Similarity 0.7094 NPC151470
Intermediate Similarity 0.709 NPC210140
Intermediate Similarity 0.7088 NPC119669
Intermediate Similarity 0.7087 NPC314596
Intermediate Similarity 0.7087 NPC257266
Intermediate Similarity 0.7083 NPC304675
Intermediate Similarity 0.7083 NPC308267
Intermediate Similarity 0.7081 NPC65490
Intermediate Similarity 0.7081 NPC315707
Intermediate Similarity 0.7081 NPC40389
Intermediate Similarity 0.7081 NPC78359
Intermediate Similarity 0.7081 NPC148014
Intermediate Similarity 0.7079 NPC42286
Intermediate Similarity 0.7077 NPC248642
Intermediate Similarity 0.7077 NPC206061
Intermediate Similarity 0.7077 NPC102760
Intermediate Similarity 0.7074 NPC169743
Intermediate Similarity 0.7074 NPC134858
Intermediate Similarity 0.7074 NPC471651
Intermediate Similarity 0.7072 NPC477565
Intermediate Similarity 0.7072 NPC103379
Intermediate Similarity 0.7068 NPC129578
Intermediate Similarity 0.7065 NPC36607
Intermediate Similarity 0.7062 NPC244554
Intermediate Similarity 0.7059 NPC97086
Intermediate Similarity 0.7059 NPC140577
Intermediate Similarity 0.7059 NPC43069
Intermediate Similarity 0.7056 NPC99724
Intermediate Similarity 0.7056 NPC476151
Intermediate Similarity 0.7053 NPC475686
Intermediate Similarity 0.7053 NPC257728
Intermediate Similarity 0.7053 NPC58766
Intermediate Similarity 0.705 NPC469815
Intermediate Similarity 0.705 NPC469816
Intermediate Similarity 0.7047 NPC237044
Intermediate Similarity 0.7044 NPC475654
Intermediate Similarity 0.7044 NPC313274
Intermediate Similarity 0.7044 NPC476661
Intermediate Similarity 0.7043 NPC478223
Intermediate Similarity 0.7041 NPC475981
Intermediate Similarity 0.7041 NPC474746
Intermediate Similarity 0.7041 NPC156576
Intermediate Similarity 0.7041 NPC475566
Intermediate Similarity 0.7039 NPC314946
Intermediate Similarity 0.7037 NPC472402
Intermediate Similarity 0.7037 NPC124657
Intermediate Similarity 0.7035 NPC196231
Intermediate Similarity 0.7033 NPC68967
Intermediate Similarity 0.703 NPC316412
Intermediate Similarity 0.703 NPC83019
Intermediate Similarity 0.703 NPC315351
Intermediate Similarity 0.7029 NPC471316
Intermediate Similarity 0.7029 NPC231163
Intermediate Similarity 0.7029 NPC318591
Intermediate Similarity 0.7027 NPC84721
Intermediate Similarity 0.7027 NPC147091
Intermediate Similarity 0.702 NPC166979
Intermediate Similarity 0.7019 NPC153365
Intermediate Similarity 0.7016 NPC311991
Intermediate Similarity 0.7015 NPC308895
Intermediate Similarity 0.701 NPC327005
Intermediate Similarity 0.701 NPC148693
Intermediate Similarity 0.701 NPC294790
Intermediate Similarity 0.701 NPC118633
Intermediate Similarity 0.701 NPC476662
Intermediate Similarity 0.7005 NPC26353
Intermediate Similarity 0.7005 NPC18402
Intermediate Similarity 0.7005 NPC214629
Intermediate Similarity 0.7 NPC100566
Intermediate Similarity 0.7 NPC475985
Intermediate Similarity 0.7 NPC469642
Remote Similarity 0.6995 NPC49353
Remote Similarity 0.6986 NPC197125
Remote Similarity 0.6984 NPC231198
Remote Similarity 0.6984 NPC478222
Remote Similarity 0.6984 NPC96031
Remote Similarity 0.698 NPC204580
Remote Similarity 0.6978 NPC140722
Remote Similarity 0.6978 NPC4958
Remote Similarity 0.6978 NPC92054
Remote Similarity 0.6976 NPC232533
Remote Similarity 0.6976 NPC243483
Remote Similarity 0.6974 NPC126284
Remote Similarity 0.6973 NPC5238
Remote Similarity 0.6973 NPC39701
Remote Similarity 0.6973 NPC207757
Remote Similarity 0.6973 NPC249797
Remote Similarity 0.6973 NPC127674
Remote Similarity 0.6973 NPC295691
Remote Similarity 0.6973 NPC172765

Drug Structure

External Identifiers

TTD   DIB015063
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  393.12
ALogP  1.3402
MLogP  2.78
XLogP  4.537
HDA  3
HBD  1
Rotatable Bonds  9
TPSA  59
RO5 Violation  0