Drug Information

Drug ID:  NPD3420
Drug Name:  
Molecular Formula:  C19H21FN2O2
Canonical SMILES:  CN(CCON/C(=C/C=C1C=CC(=O)C=C1)/c1ccccc1F)C
Standard InCHI:  InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
Standard InCHIKey:  SCCRXWFKHMCECA-XDHOZWIPSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3420

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
Remote Similarity 0.6875 NPC472788
Remote Similarity 0.6822 NPC305602
Remote Similarity 0.6822 NPC17497
Remote Similarity 0.6757 NPC474974
Remote Similarity 0.6733 NPC271642
Remote Similarity 0.6724 NPC202613
Remote Similarity 0.6694 NPC275410
Remote Similarity 0.6667 NPC226143
Remote Similarity 0.6634 NPC98976
Remote Similarity 0.661 NPC167336
Remote Similarity 0.6607 NPC291070
Remote Similarity 0.6607 NPC246757
Remote Similarity 0.6602 NPC12857
Remote Similarity 0.6535 NPC291962
Remote Similarity 0.6535 NPC177684
Remote Similarity 0.6518 NPC473661
Remote Similarity 0.6514 NPC53492
Remote Similarity 0.6512 NPC39818
Remote Similarity 0.6505 NPC98269
Remote Similarity 0.6505 NPC325662
Remote Similarity 0.65 NPC172170
Remote Similarity 0.6484 NPC258531
Remote Similarity 0.6484 NPC112373
Remote Similarity 0.6484 NPC161956
Remote Similarity 0.646 NPC471309
Remote Similarity 0.6452 NPC57051
Remote Similarity 0.6449 NPC119677
Remote Similarity 0.6418 NPC472245
Remote Similarity 0.6418 NPC280807
Remote Similarity 0.6418 NPC314431
Remote Similarity 0.6417 NPC471447
Remote Similarity 0.6404 NPC256452
Remote Similarity 0.64 NPC472164
Remote Similarity 0.64 NPC219246
Remote Similarity 0.6389 NPC169016
Remote Similarity 0.6387 NPC275467
Remote Similarity 0.6379 NPC322598
Remote Similarity 0.6364 NPC311343
Remote Similarity 0.6364 NPC473031
Remote Similarity 0.6357 NPC279385
Remote Similarity 0.6357 NPC179605
Remote Similarity 0.6356 NPC291610
Remote Similarity 0.6348 NPC471320
Remote Similarity 0.6348 NPC471319
Remote Similarity 0.6346 NPC179726
Remote Similarity 0.6333 NPC476198
Remote Similarity 0.6316 NPC119326
Remote Similarity 0.6308 NPC257490
Remote Similarity 0.6308 NPC103292
Remote Similarity 0.6303 NPC471317
Remote Similarity 0.63 NPC98880
Remote Similarity 0.6296 NPC104070
Remote Similarity 0.6293 NPC472258
Remote Similarity 0.6286 NPC319645
Remote Similarity 0.6283 NPC470926
Remote Similarity 0.6271 NPC214200
Remote Similarity 0.6271 NPC228400
Remote Similarity 0.6261 NPC108339
Remote Similarity 0.625 NPC139658
Remote Similarity 0.625 NPC470877
Remote Similarity 0.625 NPC38262
Remote Similarity 0.6241 NPC472165
Remote Similarity 0.6241 NPC472244
Remote Similarity 0.6241 NPC470343
Remote Similarity 0.6238 NPC95289
Remote Similarity 0.6231 NPC316582
Remote Similarity 0.6222 NPC150863
Remote Similarity 0.622 NPC101139
Remote Similarity 0.6216 NPC471638
Remote Similarity 0.6214 NPC122327
Remote Similarity 0.6214 NPC112609
Remote Similarity 0.6214 NPC113000
Remote Similarity 0.6204 NPC53044
Remote Similarity 0.6202 NPC220698
Remote Similarity 0.6198 NPC143516
Remote Similarity 0.6198 NPC473418
Remote Similarity 0.6195 NPC471307
Remote Similarity 0.6195 NPC78041
Remote Similarity 0.6195 NPC141139
Remote Similarity 0.6195 NPC121872
Remote Similarity 0.6195 NPC159178
Remote Similarity 0.6195 NPC209764
Remote Similarity 0.6195 NPC74936
Remote Similarity 0.6195 NPC78154
Remote Similarity 0.6194 NPC322433
Remote Similarity 0.6183 NPC314192
Remote Similarity 0.6179 NPC473676
Remote Similarity 0.6176 NPC179224
Remote Similarity 0.6176 NPC326200
Remote Similarity 0.6172 NPC239357
Remote Similarity 0.6168 NPC475289
Remote Similarity 0.6168 NPC475573
Remote Similarity 0.6165 NPC192533
Remote Similarity 0.6165 NPC22746
Remote Similarity 0.6148 NPC130898
Remote Similarity 0.6148 NPC474804
Remote Similarity 0.6148 NPC474973
Remote Similarity 0.6147 NPC474088
Remote Similarity 0.614 NPC245259
Remote Similarity 0.6139 NPC16190
Remote Similarity 0.6139 NPC235059
Remote Similarity 0.6139 NPC169222
Remote Similarity 0.6131 NPC314473
Remote Similarity 0.6127 NPC130251
Remote Similarity 0.6126 NPC258046
Remote Similarity 0.6121 NPC161972
Remote Similarity 0.6121 NPC329430
Remote Similarity 0.6121 NPC58674
Remote Similarity 0.6121 NPC303045
Remote Similarity 0.6119 NPC477248
Remote Similarity 0.6119 NPC477249
Remote Similarity 0.6116 NPC113326
Remote Similarity 0.6116 NPC88267
Remote Similarity 0.6116 NPC150254
Remote Similarity 0.6116 NPC304761
Remote Similarity 0.6116 NPC147000
Remote Similarity 0.6116 NPC194390
Remote Similarity 0.6116 NPC226778
Remote Similarity 0.6116 NPC224610
Remote Similarity 0.6111 NPC231986
Remote Similarity 0.6093 NPC63370
Remote Similarity 0.6093 NPC36836
Remote Similarity 0.6084 NPC301760
Remote Similarity 0.6083 NPC327226
Remote Similarity 0.6078 NPC229235
Remote Similarity 0.6077 NPC228515
Remote Similarity 0.6075 NPC139901
Remote Similarity 0.6075 NPC151405
Remote Similarity 0.6071 NPC262295
Remote Similarity 0.6068 NPC25565
Remote Similarity 0.6066 NPC67043
Remote Similarity 0.6058 NPC299134
Remote Similarity 0.6053 NPC191444
Remote Similarity 0.605 NPC75496
Remote Similarity 0.6038 NPC329318
Remote Similarity 0.6038 NPC290638
Remote Similarity 0.6036 NPC3210
Remote Similarity 0.6034 NPC322040
Remote Similarity 0.6029 NPC307437
Remote Similarity 0.6029 NPC58827
Remote Similarity 0.6029 NPC72473
Remote Similarity 0.6018 NPC111233
Remote Similarity 0.6018 NPC262393
Remote Similarity 0.6018 NPC30445
Remote Similarity 0.6017 NPC311242
Remote Similarity 0.6017 NPC473501
Remote Similarity 0.6017 NPC475439
Remote Similarity 0.6016 NPC113099
Remote Similarity 0.6016 NPC327481
Remote Similarity 0.6016 NPC473498
Remote Similarity 0.6016 NPC33742
Remote Similarity 0.6016 NPC246904
Remote Similarity 0.6014 NPC157311
Remote Similarity 0.6014 NPC472243
Remote Similarity 0.6 NPC276699
Remote Similarity 0.6 NPC474473
Remote Similarity 0.6 NPC226438
Remote Similarity 0.6 NPC469537
Remote Similarity 0.6 NPC208183
Remote Similarity 0.6 NPC314287
Remote Similarity 0.6 NPC24777
Remote Similarity 0.6 NPC316797
Remote Similarity 0.6 NPC243289
Remote Similarity 0.5986 NPC77992
Remote Similarity 0.5985 NPC27833
Remote Similarity 0.5985 NPC209389
Remote Similarity 0.5982 NPC203076
Remote Similarity 0.5981 NPC137847
Remote Similarity 0.5981 NPC76455
Remote Similarity 0.5972 NPC316202
Remote Similarity 0.5971 NPC44805
Remote Similarity 0.5971 NPC8761
Remote Similarity 0.597 NPC283130
Remote Similarity 0.597 NPC328683
Remote Similarity 0.5968 NPC55529
Remote Similarity 0.5966 NPC164514
Remote Similarity 0.5966 NPC226096
Remote Similarity 0.5966 NPC108606
Remote Similarity 0.5966 NPC290515
Remote Similarity 0.5966 NPC303611
Remote Similarity 0.5965 NPC176858
Remote Similarity 0.5965 NPC173991
Remote Similarity 0.5963 NPC303245
Remote Similarity 0.5963 NPC89950
Remote Similarity 0.5959 NPC473804
Remote Similarity 0.5959 NPC314186
Remote Similarity 0.5956 NPC250476
Remote Similarity 0.5954 NPC314992
Remote Similarity 0.5952 NPC319579
Remote Similarity 0.595 NPC329375
Remote Similarity 0.5942 NPC187231
Remote Similarity 0.594 NPC71684
Remote Similarity 0.5938 NPC276949
Remote Similarity 0.5938 NPC35850
Remote Similarity 0.5929 NPC69057
Remote Similarity 0.5926 NPC78517
Remote Similarity 0.5926 NPC167577
Remote Similarity 0.5926 NPC285394
Remote Similarity 0.5926 NPC300205
Remote Similarity 0.5923 NPC470544

Drug Structure

External Identifiers

TTD   DCL000999
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6438382
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  328.16
ALogP  0.8978
MLogP  3
XLogP  3.424
HDA  2
HBD  1
Rotatable Bonds  10
TPSA  41.57
RO5 Violation  0