Drug Information

Drug ID:  NPD466
Drug Name:  Phensuximide
Molecular Formula:  C11H11NO2
Canonical SMILES:  CN1C(=O)CC(C1=O)c1ccccc1
Standard InCHI:  InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
Standard InCHIKey:  WLWFNJKHKGIJNW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD466

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 0.8627 NPC55529
High Similarity 0.8542 NPC71140
Intermediate Similarity 0.8081 NPC256452
Intermediate Similarity 0.757 NPC473418
Intermediate Similarity 0.75 NPC45033
Intermediate Similarity 0.7451 NPC474974
Intermediate Similarity 0.7353 NPC473661
Intermediate Similarity 0.732 NPC474088
Intermediate Similarity 0.7238 NPC472258
Intermediate Similarity 0.7217 NPC473573
Intermediate Similarity 0.7203 NPC200964
Intermediate Similarity 0.72 NPC305602
Intermediate Similarity 0.72 NPC17497
Intermediate Similarity 0.717 NPC322598
Intermediate Similarity 0.7155 NPC285926
Intermediate Similarity 0.7155 NPC315276
Intermediate Similarity 0.7155 NPC14672
Intermediate Similarity 0.7143 NPC158854
Intermediate Similarity 0.713 NPC329375
Intermediate Similarity 0.7113 NPC231986
Intermediate Similarity 0.7091 NPC167336
Intermediate Similarity 0.7059 NPC27833
Intermediate Similarity 0.7053 NPC298023
Intermediate Similarity 0.7043 NPC35850
Intermediate Similarity 0.7043 NPC276949
Intermediate Similarity 0.7018 NPC181390
Remote Similarity 0.6989 NPC285679
Remote Similarity 0.6984 NPC473962
Remote Similarity 0.6983 NPC33742
Remote Similarity 0.6979 NPC103488
Remote Similarity 0.6937 NPC143516
Remote Similarity 0.6937 NPC476198
Remote Similarity 0.6911 NPC79698
Remote Similarity 0.6882 NPC74458
Remote Similarity 0.6875 NPC474804
Remote Similarity 0.6875 NPC474973
Remote Similarity 0.6875 NPC130898
Remote Similarity 0.6837 NPC157055
Remote Similarity 0.6837 NPC190567
Remote Similarity 0.6837 NPC17408
Remote Similarity 0.6837 NPC285716
Remote Similarity 0.6822 NPC76785
Remote Similarity 0.6822 NPC475318
Remote Similarity 0.6822 NPC476102
Remote Similarity 0.6822 NPC49577
Remote Similarity 0.6822 NPC260045
Remote Similarity 0.6822 NPC79465
Remote Similarity 0.6822 NPC9687
Remote Similarity 0.6822 NPC475598
Remote Similarity 0.6822 NPC90194
Remote Similarity 0.6822 NPC474811
Remote Similarity 0.6822 NPC273907
Remote Similarity 0.6822 NPC151706
Remote Similarity 0.6822 NPC474787
Remote Similarity 0.6822 NPC118099
Remote Similarity 0.6822 NPC474855
Remote Similarity 0.6822 NPC293377
Remote Similarity 0.6803 NPC84281
Remote Similarity 0.6803 NPC291027
Remote Similarity 0.6803 NPC213126
Remote Similarity 0.6803 NPC317474
Remote Similarity 0.6803 NPC169485
Remote Similarity 0.6792 NPC246757
Remote Similarity 0.6792 NPC291070
Remote Similarity 0.675 NPC220698
Remote Similarity 0.6748 NPC6975
Remote Similarity 0.6748 NPC175726
Remote Similarity 0.6748 NPC474082
Remote Similarity 0.6746 NPC473322
Remote Similarity 0.6737 NPC208075
Remote Similarity 0.6735 NPC300205
Remote Similarity 0.6726 NPC473498
Remote Similarity 0.67 NPC230068
Remote Similarity 0.6699 NPC322387
Remote Similarity 0.6696 NPC275467
Remote Similarity 0.6694 NPC222466
Remote Similarity 0.6693 NPC179224
Remote Similarity 0.6693 NPC200589
Remote Similarity 0.6667 NPC470545
Remote Similarity 0.6667 NPC98976
Remote Similarity 0.6667 NPC477703
Remote Similarity 0.6667 NPC252067
Remote Similarity 0.6667 NPC164086
Remote Similarity 0.6641 NPC126458
Remote Similarity 0.6641 NPC255447
Remote Similarity 0.664 NPC101719
Remote Similarity 0.6639 NPC302169
Remote Similarity 0.6637 NPC67043
Remote Similarity 0.6636 NPC12730
Remote Similarity 0.6635 NPC157778
Remote Similarity 0.6634 NPC104070
Remote Similarity 0.6633 NPC2785
Remote Similarity 0.6633 NPC285470
Remote Similarity 0.6633 NPC36342
Remote Similarity 0.6632 NPC271437
Remote Similarity 0.6617 NPC315051
Remote Similarity 0.6612 NPC470546
Remote Similarity 0.6609 NPC473676
Remote Similarity 0.66 NPC145053
Remote Similarity 0.6598 NPC139658
Remote Similarity 0.6598 NPC271642
Remote Similarity 0.6591 NPC106606
Remote Similarity 0.6585 NPC202521
Remote Similarity 0.6583 NPC470544
Remote Similarity 0.6579 NPC471447
Remote Similarity 0.6566 NPC272260
Remote Similarity 0.6555 NPC246904
Remote Similarity 0.6542 NPC188844
Remote Similarity 0.6542 NPC1682
Remote Similarity 0.6538 NPC53492
Remote Similarity 0.6538 NPC43945
Remote Similarity 0.6532 NPC268348
Remote Similarity 0.6531 NPC245966
Remote Similarity 0.6531 NPC9796
Remote Similarity 0.6515 NPC109580
Remote Similarity 0.6509 NPC70940
Remote Similarity 0.6509 NPC86670
Remote Similarity 0.6509 NPC274455
Remote Similarity 0.6509 NPC173413
Remote Similarity 0.6509 NPC84288
Remote Similarity 0.6504 NPC476990
Remote Similarity 0.65 NPC475573
Remote Similarity 0.65 NPC95868
Remote Similarity 0.65 NPC475289
Remote Similarity 0.6484 NPC213969
Remote Similarity 0.6484 NPC165726
Remote Similarity 0.6481 NPC238219
Remote Similarity 0.6471 NPC39600
Remote Similarity 0.6471 NPC215008
Remote Similarity 0.6471 NPC273758
Remote Similarity 0.6471 NPC288903
Remote Similarity 0.6471 NPC197581
Remote Similarity 0.6465 NPC137847
Remote Similarity 0.6465 NPC76455
Remote Similarity 0.646 NPC471317
Remote Similarity 0.6455 NPC293628
Remote Similarity 0.6455 NPC122493
Remote Similarity 0.6455 NPC10781
Remote Similarity 0.6452 NPC71684
Remote Similarity 0.6449 NPC284475
Remote Similarity 0.6449 NPC133461
Remote Similarity 0.6446 NPC239357
Remote Similarity 0.6442 NPC160339
Remote Similarity 0.6442 NPC307
Remote Similarity 0.6441 NPC475013
Remote Similarity 0.6441 NPC269340
Remote Similarity 0.6436 NPC273033
Remote Similarity 0.6436 NPC12936
Remote Similarity 0.6435 NPC191215
Remote Similarity 0.6435 NPC274089
Remote Similarity 0.6434 NPC187231
Remote Similarity 0.6434 NPC69496
Remote Similarity 0.6406 NPC152850
Remote Similarity 0.6406 NPC239990
Remote Similarity 0.6406 NPC89923
Remote Similarity 0.6406 NPC71933
Remote Similarity 0.6406 NPC105114
Remote Similarity 0.64 NPC252878
Remote Similarity 0.6391 NPC471123
Remote Similarity 0.6389 NPC155232
Remote Similarity 0.6389 NPC153885
Remote Similarity 0.6389 NPC59677
Remote Similarity 0.6385 NPC130309
Remote Similarity 0.6385 NPC120251
Remote Similarity 0.6381 NPC69057
Remote Similarity 0.637 NPC269398
Remote Similarity 0.637 NPC263493
Remote Similarity 0.6364 NPC248283
Remote Similarity 0.6364 NPC329318
Remote Similarity 0.6356 NPC313981
Remote Similarity 0.6355 NPC58872
Remote Similarity 0.6355 NPC67585
Remote Similarity 0.6355 NPC110420
Remote Similarity 0.6355 NPC19256
Remote Similarity 0.6355 NPC303967
Remote Similarity 0.6349 NPC254698
Remote Similarity 0.6349 NPC46427
Remote Similarity 0.6346 NPC294134
Remote Similarity 0.6343 NPC476133
Remote Similarity 0.6343 NPC92784
Remote Similarity 0.6343 NPC470884
Remote Similarity 0.6343 NPC178662
Remote Similarity 0.6343 NPC98424
Remote Similarity 0.6337 NPC127343
Remote Similarity 0.6337 NPC71664
Remote Similarity 0.6333 NPC476048
Remote Similarity 0.633 NPC289883
Remote Similarity 0.6328 NPC136453
Remote Similarity 0.6327 NPC276699
Remote Similarity 0.6324 NPC251439
Remote Similarity 0.6324 NPC161069
Remote Similarity 0.6321 NPC153308
Remote Similarity 0.6321 NPC329064
Remote Similarity 0.6316 NPC164859
Remote Similarity 0.6311 NPC285773
Remote Similarity 0.6311 NPC44830
Remote Similarity 0.6308 NPC300315
Remote Similarity 0.6306 NPC324569
Remote Similarity 0.63 NPC12857
Remote Similarity 0.6296 NPC469560

Drug Structure

External Identifiers

TTD   DIB015510
DrugBank   DB00832
ChEMBL   CHEMBL797
IUPHAR/BPS  
PharmaGKB   PA164771230
KEGG Drug   D00508
PubChem CID   6839
ChEBI   8079
CAS Number  86-34-0

Drug Properties

Molecular Weight  189.08
ALogP  -0.7659
MLogP  2.34
XLogP  2.372
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  37.38
RO5 Violation  0