Drug Information

Drug ID:  NPD260
Drug Name:  BXT-51072
Molecular Formula:  C10H13NSe
Canonical SMILES:  CC1(C)CN[Se]c2c1cccc2
Standard InCHI:  InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
Standard InCHIKey:  FXRYWOJYVGJZLE-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD260

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 0.8571 NPC276699
High Similarity 0.8533 NPC229235
Intermediate Similarity 0.8442 NPC112609
Intermediate Similarity 0.8442 NPC122327
Intermediate Similarity 0.8442 NPC113000
Intermediate Similarity 0.8354 NPC290638
Intermediate Similarity 0.8228 NPC139658
Intermediate Similarity 0.8125 NPC98269
Intermediate Similarity 0.8125 NPC325662
Intermediate Similarity 0.8052 NPC219246
Intermediate Similarity 0.8023 NPC60408
Intermediate Similarity 0.7907 NPC258046
Intermediate Similarity 0.7838 NPC29680
Intermediate Similarity 0.7805 NPC12857
Intermediate Similarity 0.7765 NPC119677
Intermediate Similarity 0.7765 NPC104070
Intermediate Similarity 0.7625 NPC244738
Intermediate Similarity 0.7532 NPC178527
Intermediate Similarity 0.7471 NPC169016
Intermediate Similarity 0.7471 NPC133162
Intermediate Similarity 0.7467 NPC135924
Intermediate Similarity 0.7439 NPC98976
Intermediate Similarity 0.7419 NPC329430
Intermediate Similarity 0.7349 NPC271642
Intermediate Similarity 0.7333 NPC30445
Intermediate Similarity 0.7297 NPC65873
Intermediate Similarity 0.7297 NPC120441
Intermediate Similarity 0.7297 NPC300345
Intermediate Similarity 0.7297 NPC212114
Intermediate Similarity 0.7283 NPC470926
Intermediate Similarity 0.7273 NPC88566
Intermediate Similarity 0.7273 NPC113670
Intermediate Similarity 0.7237 NPC238023
Intermediate Similarity 0.7237 NPC310758
Intermediate Similarity 0.7237 NPC150196
Intermediate Similarity 0.7237 NPC54368
Intermediate Similarity 0.7237 NPC246588
Intermediate Similarity 0.7237 NPC248705
Intermediate Similarity 0.7237 NPC210849
Intermediate Similarity 0.7215 NPC267443
Intermediate Similarity 0.7179 NPC198023
Intermediate Similarity 0.7179 NPC32312
Intermediate Similarity 0.7179 NPC155172
Intermediate Similarity 0.7162 NPC269586
Intermediate Similarity 0.7162 NPC198841
Intermediate Similarity 0.7143 NPC71009
Intermediate Similarity 0.7128 NPC322040
Intermediate Similarity 0.7126 NPC231986
Intermediate Similarity 0.7108 NPC299134
Intermediate Similarity 0.7105 NPC147062
Intermediate Similarity 0.7051 NPC45756
Intermediate Similarity 0.7051 NPC50266
Intermediate Similarity 0.7037 NPC213570
Intermediate Similarity 0.7037 NPC246822
Intermediate Similarity 0.7037 NPC139416
Intermediate Similarity 0.7037 NPC200936
Intermediate Similarity 0.7027 NPC149436
Intermediate Similarity 0.7027 NPC277704
Intermediate Similarity 0.7 NPC6107
Remote Similarity 0.6988 NPC212463
Remote Similarity 0.6974 NPC64270
Remote Similarity 0.6974 NPC36357
Remote Similarity 0.6974 NPC8235
Remote Similarity 0.6974 NPC114327
Remote Similarity 0.6966 NPC474088
Remote Similarity 0.6962 NPC291066
Remote Similarity 0.6941 NPC110264
Remote Similarity 0.6923 NPC66517
Remote Similarity 0.6923 NPC22786
Remote Similarity 0.6883 NPC169110
Remote Similarity 0.6882 NPC176858
Remote Similarity 0.6875 NPC113837
Remote Similarity 0.6875 NPC289915
Remote Similarity 0.6867 NPC158028
Remote Similarity 0.6867 NPC226999
Remote Similarity 0.6867 NPC135433
Remote Similarity 0.6867 NPC1008
Remote Similarity 0.6867 NPC39799
Remote Similarity 0.6867 NPC280135
Remote Similarity 0.6867 NPC193578
Remote Similarity 0.6867 NPC87099
Remote Similarity 0.686 NPC249018
Remote Similarity 0.686 NPC3190
Remote Similarity 0.6835 NPC21211
Remote Similarity 0.6829 NPC473206
Remote Similarity 0.6809 NPC191444
Remote Similarity 0.6786 NPC54269
Remote Similarity 0.6771 NPC291070
Remote Similarity 0.6771 NPC469330
Remote Similarity 0.6771 NPC246757
Remote Similarity 0.6747 NPC263385
Remote Similarity 0.6747 NPC251490
Remote Similarity 0.6747 NPC72670
Remote Similarity 0.6739 NPC203076
Remote Similarity 0.6709 NPC200745
Remote Similarity 0.6705 NPC159661
Remote Similarity 0.6667 NPC473031
Remote Similarity 0.6667 NPC305602
Remote Similarity 0.6667 NPC17497
Remote Similarity 0.6634 NPC239854
Remote Similarity 0.6633 NPC471320
Remote Similarity 0.6633 NPC471319
Remote Similarity 0.6628 NPC307195
Remote Similarity 0.6598 NPC7067
Remote Similarity 0.6596 NPC12429
Remote Similarity 0.6596 NPC111233
Remote Similarity 0.6588 NPC1901
Remote Similarity 0.6543 NPC264470
Remote Similarity 0.6535 NPC474582
Remote Similarity 0.6531 NPC215351
Remote Similarity 0.6531 NPC108339
Remote Similarity 0.6531 NPC20142
Remote Similarity 0.6526 NPC470877
Remote Similarity 0.6512 NPC96835
Remote Similarity 0.6512 NPC258492
Remote Similarity 0.6506 NPC22760
Remote Similarity 0.65 NPC226096
Remote Similarity 0.65 NPC290515
Remote Similarity 0.65 NPC164514
Remote Similarity 0.65 NPC303611
Remote Similarity 0.65 NPC108606
Remote Similarity 0.6495 NPC108800
Remote Similarity 0.6489 NPC471638
Remote Similarity 0.6484 NPC14326
Remote Similarity 0.6471 NPC125144
Remote Similarity 0.6471 NPC121708
Remote Similarity 0.6463 NPC36440
Remote Similarity 0.6458 NPC316108
Remote Similarity 0.6458 NPC74936
Remote Similarity 0.6458 NPC159178
Remote Similarity 0.6458 NPC471307
Remote Similarity 0.6458 NPC209764
Remote Similarity 0.6458 NPC141139
Remote Similarity 0.6458 NPC121872
Remote Similarity 0.6458 NPC78041
Remote Similarity 0.6444 NPC475289
Remote Similarity 0.6444 NPC475573
Remote Similarity 0.6444 NPC192623
Remote Similarity 0.6442 NPC474695
Remote Similarity 0.6429 NPC297358
Remote Similarity 0.64 NPC293628
Remote Similarity 0.64 NPC122493
Remote Similarity 0.64 NPC10781
Remote Similarity 0.6392 NPC245259
Remote Similarity 0.6392 NPC226438
Remote Similarity 0.6386 NPC52330
Remote Similarity 0.6375 NPC45255
Remote Similarity 0.6364 NPC303045
Remote Similarity 0.6364 NPC161972
Remote Similarity 0.6355 NPC24777
Remote Similarity 0.6355 NPC158854
Remote Similarity 0.6327 NPC473661
Remote Similarity 0.6316 NPC262295
Remote Similarity 0.6311 NPC327226
Remote Similarity 0.631 NPC311343
Remote Similarity 0.6304 NPC230068
Remote Similarity 0.6292 NPC298023
Remote Similarity 0.6279 NPC74458
Remote Similarity 0.6277 NPC3210
Remote Similarity 0.6275 NPC125732
Remote Similarity 0.6264 NPC315216
Remote Similarity 0.6264 NPC309279
Remote Similarity 0.6263 NPC471309
Remote Similarity 0.625 NPC147578
Remote Similarity 0.625 NPC189371
Remote Similarity 0.6238 NPC324569
Remote Similarity 0.6235 NPC98880
Remote Similarity 0.6235 NPC5324
Remote Similarity 0.6222 NPC224544
Remote Similarity 0.6222 NPC66270
Remote Similarity 0.6222 NPC255345
Remote Similarity 0.6222 NPC245896
Remote Similarity 0.6222 NPC103488
Remote Similarity 0.6214 NPC469457
Remote Similarity 0.6207 NPC285679
Remote Similarity 0.62 NPC58674
Remote Similarity 0.619 NPC147000
Remote Similarity 0.619 NPC150254
Remote Similarity 0.619 NPC226778
Remote Similarity 0.619 NPC275467
Remote Similarity 0.619 NPC304761
Remote Similarity 0.6186 NPC173991
Remote Similarity 0.618 NPC35599
Remote Similarity 0.6173 NPC200624
Remote Similarity 0.6163 NPC95289
Remote Similarity 0.6154 NPC291610
Remote Similarity 0.6139 NPC25565
Remote Similarity 0.6132 NPC42383
Remote Similarity 0.6132 NPC167336
Remote Similarity 0.6132 NPC473418
Remote Similarity 0.6132 NPC67043
Remote Similarity 0.6122 NPC172128
Remote Similarity 0.6118 NPC78954
Remote Similarity 0.6118 NPC239931
Remote Similarity 0.6118 NPC82770
Remote Similarity 0.6111 NPC9796
Remote Similarity 0.61 NPC71140
Remote Similarity 0.6095 NPC68055
Remote Similarity 0.6095 NPC164859
Remote Similarity 0.6092 NPC208302

Drug Structure

External Identifiers

TTD   DIB015901
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  227.02
ALogP  0.5054
MLogP  2.34
XLogP  2.976
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  12.03
RO5 Violation  0