Drug Information

Drug ID:  NPD742
Drug Name:  Methsuximide
Molecular Formula:  C12H13NO2
Canonical SMILES:  CN1C(=O)CC(C1=O)(C)c1ccccc1
Standard InCHI:  InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
Standard InCHIKey:  AJXPJJZHWIXJCJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD742

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 0.8544 NPC55529
Intermediate Similarity 0.8454 NPC71140
Intermediate Similarity 0.8 NPC256452
Intermediate Similarity 0.75 NPC473418
Intermediate Similarity 0.7431 NPC45033
Intermediate Similarity 0.7387 NPC158854
Intermediate Similarity 0.7379 NPC474974
Intermediate Similarity 0.7304 NPC473573
Intermediate Similarity 0.7282 NPC473661
Intermediate Similarity 0.7245 NPC474088
Intermediate Similarity 0.717 NPC472258
Intermediate Similarity 0.7129 NPC305602
Intermediate Similarity 0.7129 NPC17497
Intermediate Similarity 0.7103 NPC322598
Intermediate Similarity 0.7094 NPC315276
Intermediate Similarity 0.7094 NPC14672
Intermediate Similarity 0.7094 NPC285926
Intermediate Similarity 0.7064 NPC329375
Intermediate Similarity 0.7063 NPC473962
Intermediate Similarity 0.7041 NPC231986
Intermediate Similarity 0.7027 NPC167336
Intermediate Similarity 0.7 NPC200964
Intermediate Similarity 0.7 NPC27833
Remote Similarity 0.6992 NPC79698
Remote Similarity 0.6983 NPC35850
Remote Similarity 0.6983 NPC276949
Remote Similarity 0.6957 NPC181390
Remote Similarity 0.6923 NPC33742
Remote Similarity 0.6915 NPC285679
Remote Similarity 0.6875 NPC476198
Remote Similarity 0.6818 NPC315051
Remote Similarity 0.6809 NPC74458
Remote Similarity 0.6804 NPC298023
Remote Similarity 0.68 NPC230068
Remote Similarity 0.6735 NPC103488
Remote Similarity 0.6729 NPC246757
Remote Similarity 0.6729 NPC291070
Remote Similarity 0.6726 NPC143516
Remote Similarity 0.6719 NPC126458
Remote Similarity 0.6694 NPC220698
Remote Similarity 0.6694 NPC175726
Remote Similarity 0.6694 NPC474082
Remote Similarity 0.6667 NPC130898
Remote Similarity 0.6667 NPC474973
Remote Similarity 0.6667 NPC300205
Remote Similarity 0.6667 NPC474804
Remote Similarity 0.6667 NPC473498
Remote Similarity 0.6667 NPC208075
Remote Similarity 0.6641 NPC179224
Remote Similarity 0.6641 NPC76785
Remote Similarity 0.6641 NPC118099
Remote Similarity 0.6641 NPC273907
Remote Similarity 0.6641 NPC293377
Remote Similarity 0.6641 NPC474855
Remote Similarity 0.6641 NPC79465
Remote Similarity 0.6641 NPC260045
Remote Similarity 0.6641 NPC90194
Remote Similarity 0.6641 NPC474787
Remote Similarity 0.6641 NPC475318
Remote Similarity 0.6641 NPC475598
Remote Similarity 0.6641 NPC151706
Remote Similarity 0.6641 NPC49577
Remote Similarity 0.6641 NPC474811
Remote Similarity 0.6641 NPC9687
Remote Similarity 0.6641 NPC476102
Remote Similarity 0.6639 NPC246904
Remote Similarity 0.6636 NPC59677
Remote Similarity 0.6613 NPC291027
Remote Similarity 0.6613 NPC213126
Remote Similarity 0.6613 NPC84281
Remote Similarity 0.6613 NPC317474
Remote Similarity 0.6613 NPC169485
Remote Similarity 0.6604 NPC58872
Remote Similarity 0.66 NPC157055
Remote Similarity 0.66 NPC17408
Remote Similarity 0.66 NPC285716
Remote Similarity 0.66 NPC190567
Remote Similarity 0.66 NPC164086
Remote Similarity 0.6598 NPC98976
Remote Similarity 0.6585 NPC302169
Remote Similarity 0.6579 NPC67043
Remote Similarity 0.6577 NPC12730
Remote Similarity 0.6571 NPC157778
Remote Similarity 0.6569 NPC104070
Remote Similarity 0.6566 NPC2785
Remote Similarity 0.6566 NPC285470
Remote Similarity 0.6566 NPC36342
Remote Similarity 0.6562 NPC271437
Remote Similarity 0.6562 NPC473322
Remote Similarity 0.656 NPC6975
Remote Similarity 0.6552 NPC473676
Remote Similarity 0.6535 NPC145053
Remote Similarity 0.6531 NPC139658
Remote Similarity 0.6531 NPC271642
Remote Similarity 0.6522 NPC471447
Remote Similarity 0.6512 NPC200589
Remote Similarity 0.6508 NPC222466
Remote Similarity 0.65 NPC272260
Remote Similarity 0.6493 NPC469560
Remote Similarity 0.6491 NPC275467
Remote Similarity 0.6476 NPC43945
Remote Similarity 0.6476 NPC322387
Remote Similarity 0.6476 NPC53492
Remote Similarity 0.6475 NPC470545
Remote Similarity 0.6466 NPC109580
Remote Similarity 0.6466 NPC471123
Remote Similarity 0.6465 NPC9796
Remote Similarity 0.6465 NPC245966
Remote Similarity 0.6462 NPC255447
Remote Similarity 0.6457 NPC101719
Remote Similarity 0.6449 NPC173413
Remote Similarity 0.6442 NPC252067
Remote Similarity 0.6436 NPC475289
Remote Similarity 0.6436 NPC95868
Remote Similarity 0.6436 NPC477703
Remote Similarity 0.6436 NPC475573
Remote Similarity 0.6423 NPC470546
Remote Similarity 0.6418 NPC106606
Remote Similarity 0.6418 NPC316906
Remote Similarity 0.6408 NPC197581
Remote Similarity 0.6408 NPC273758
Remote Similarity 0.6408 NPC288903
Remote Similarity 0.6408 NPC39600
Remote Similarity 0.6408 NPC215008
Remote Similarity 0.6404 NPC471317
Remote Similarity 0.64 NPC137847
Remote Similarity 0.64 NPC202521
Remote Similarity 0.64 NPC76455
Remote Similarity 0.6397 NPC161069
Remote Similarity 0.6396 NPC293628
Remote Similarity 0.6396 NPC122493
Remote Similarity 0.6396 NPC10781
Remote Similarity 0.6393 NPC470544
Remote Similarity 0.6389 NPC284475
Remote Similarity 0.6387 NPC475013
Remote Similarity 0.6387 NPC269340
Remote Similarity 0.6385 NPC187231
Remote Similarity 0.6381 NPC307
Remote Similarity 0.6381 NPC160339
Remote Similarity 0.6373 NPC12936
Remote Similarity 0.6373 NPC273033
Remote Similarity 0.6355 NPC298115
Remote Similarity 0.6349 NPC268348
Remote Similarity 0.6339 NPC75724
Remote Similarity 0.6339 NPC134882
Remote Similarity 0.6336 NPC120251
Remote Similarity 0.633 NPC188844
Remote Similarity 0.633 NPC155232
Remote Similarity 0.633 NPC1682
Remote Similarity 0.6324 NPC150712
Remote Similarity 0.6321 NPC69057
Remote Similarity 0.632 NPC476990
Remote Similarity 0.6316 NPC248283
Remote Similarity 0.6308 NPC213969
Remote Similarity 0.6308 NPC165726
Remote Similarity 0.6304 NPC5620
Remote Similarity 0.6304 NPC29680
Remote Similarity 0.63 NPC329318
Remote Similarity 0.6299 NPC254698
Remote Similarity 0.6296 NPC70940
Remote Similarity 0.6296 NPC19256
Remote Similarity 0.6296 NPC274455
Remote Similarity 0.6296 NPC84288
Remote Similarity 0.6296 NPC86670
Remote Similarity 0.6286 NPC294134
Remote Similarity 0.6281 NPC476048
Remote Similarity 0.6279 NPC136453
Remote Similarity 0.6277 NPC251439
Remote Similarity 0.6275 NPC127343
Remote Similarity 0.6275 NPC71664
Remote Similarity 0.6273 NPC289883
Remote Similarity 0.6273 NPC238219
Remote Similarity 0.627 NPC71684
Remote Similarity 0.6263 NPC276699
Remote Similarity 0.6262 NPC329064
Remote Similarity 0.6262 NPC153308
Remote Similarity 0.6261 NPC164859
Remote Similarity 0.626 NPC239357
Remote Similarity 0.626 NPC69496
Remote Similarity 0.625 NPC324569
Remote Similarity 0.625 NPC239185
Remote Similarity 0.625 NPC285773
Remote Similarity 0.625 NPC44830
Remote Similarity 0.625 NPC265220
Remote Similarity 0.6239 NPC125226
Remote Similarity 0.6239 NPC86987
Remote Similarity 0.6239 NPC274089
Remote Similarity 0.6239 NPC470926
Remote Similarity 0.6239 NPC133461
Remote Similarity 0.6239 NPC191215
Remote Similarity 0.6238 NPC12857
Remote Similarity 0.6231 NPC239990
Remote Similarity 0.6231 NPC105114
Remote Similarity 0.6231 NPC152850
Remote Similarity 0.6231 NPC89923
Remote Similarity 0.6231 NPC71933
Remote Similarity 0.623 NPC113099
Remote Similarity 0.6228 NPC476993
Remote Similarity 0.6228 NPC109514
Remote Similarity 0.6226 NPC164526

Drug Structure

External Identifiers

TTD   DAP001253
DrugBank   DB05246
ChEMBL   CHEMBL697
IUPHAR/BPS   7228
PharmaGKB   PA164743145
KEGG Drug  
PubChem CID   6476
ChEBI   6846
CAS Number  77-41-8

Drug Properties

Molecular Weight  203.09
ALogP  -0.349
MLogP  2.45
XLogP  2.573
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  37.38
RO5 Violation  0