Drug Information

Drug ID:  NPD1036
Drug Name:  Aminoglutethimide
Molecular Formula:  C13H16N2O2
Canonical SMILES:  CCC1(CCC(=NC1=O)O)c1ccc(cc1)N
Standard InCHI:  InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
Standard InCHIKey:  ROBVIMPUHSLWNV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1036

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 1.0 NPC474926
Intermediate Similarity 0.797 NPC316746
Intermediate Similarity 0.784 NPC205652
Intermediate Similarity 0.75 NPC287358
Intermediate Similarity 0.7422 NPC470550
Intermediate Similarity 0.7388 NPC317758
Intermediate Similarity 0.7333 NPC205946
Intermediate Similarity 0.7246 NPC314431
Intermediate Similarity 0.7236 NPC471317
Intermediate Similarity 0.7222 NPC316202
Intermediate Similarity 0.7172 NPC472241
Intermediate Similarity 0.7154 NPC33742
Intermediate Similarity 0.7153 NPC472243
Intermediate Similarity 0.7143 NPC476483
Intermediate Similarity 0.7143 NPC68650
Intermediate Similarity 0.7097 NPC472121
Intermediate Similarity 0.708 NPC325013
Intermediate Similarity 0.7063 NPC473498
Intermediate Similarity 0.7027 NPC472242
Intermediate Similarity 0.7009 NPC30445
Intermediate Similarity 0.7007 NPC314287
Intermediate Similarity 0.7 NPC472245
Remote Similarity 0.6977 NPC319579
Remote Similarity 0.6963 NPC150323
Remote Similarity 0.696 NPC178681
Remote Similarity 0.6929 NPC327481
Remote Similarity 0.6929 NPC150863
Remote Similarity 0.6918 NPC315051
Remote Similarity 0.6905 NPC275467
Remote Similarity 0.6891 NPC78154
Remote Similarity 0.687 NPC474584
Remote Similarity 0.6867 NPC470579
Remote Similarity 0.6857 NPC307437
Remote Similarity 0.6857 NPC58827
Remote Similarity 0.6857 NPC72473
Remote Similarity 0.6825 NPC164859
Remote Similarity 0.6825 NPC202613
Remote Similarity 0.6815 NPC309531
Remote Similarity 0.6815 NPC472102
Remote Similarity 0.6803 NPC161972
Remote Similarity 0.6803 NPC303045
Remote Similarity 0.6794 NPC329011
Remote Similarity 0.6774 NPC114808
Remote Similarity 0.6761 NPC477432
Remote Similarity 0.6761 NPC280807
Remote Similarity 0.675 NPC191444
Remote Similarity 0.6744 NPC172170
Remote Similarity 0.6744 NPC37584
Remote Similarity 0.6733 NPC190945
Remote Similarity 0.6733 NPC472103
Remote Similarity 0.6728 NPC355
Remote Similarity 0.672 NPC12730
Remote Similarity 0.6716 NPC197470
Remote Similarity 0.6715 NPC179605
Remote Similarity 0.6715 NPC279385
Remote Similarity 0.6714 NPC474479
Remote Similarity 0.6709 NPC143457
Remote Similarity 0.6694 NPC226438
Remote Similarity 0.6692 NPC276949
Remote Similarity 0.6692 NPC35850
Remote Similarity 0.6691 NPC229353
Remote Similarity 0.669 NPC259098
Remote Similarity 0.669 NPC197680
Remote Similarity 0.669 NPC101372
Remote Similarity 0.6689 NPC243162
Remote Similarity 0.6689 NPC242933
Remote Similarity 0.6688 NPC104345
Remote Similarity 0.6688 NPC211525
Remote Similarity 0.6688 NPC153694
Remote Similarity 0.6687 NPC39822
Remote Similarity 0.6667 NPC122553
Remote Similarity 0.6667 NPC315276
Remote Similarity 0.6667 NPC472117
Remote Similarity 0.6667 NPC176858
Remote Similarity 0.6667 NPC147957
Remote Similarity 0.6667 NPC470877
Remote Similarity 0.6667 NPC322433
Remote Similarity 0.6667 NPC14672
Remote Similarity 0.6667 NPC16667
Remote Similarity 0.6667 NPC103292
Remote Similarity 0.6667 NPC285926
Remote Similarity 0.6646 NPC310403
Remote Similarity 0.6646 NPC148468
Remote Similarity 0.6646 NPC263709
Remote Similarity 0.6646 NPC97380
Remote Similarity 0.6646 NPC63210
Remote Similarity 0.6646 NPC243673
Remote Similarity 0.6645 NPC259678
Remote Similarity 0.6645 NPC478039
Remote Similarity 0.6644 NPC2823
Remote Similarity 0.6642 NPC226143
Remote Similarity 0.6642 NPC471318
Remote Similarity 0.6641 NPC38262
Remote Similarity 0.6626 NPC6982
Remote Similarity 0.6625 NPC189116
Remote Similarity 0.6624 NPC84317
Remote Similarity 0.6624 NPC285469
Remote Similarity 0.6622 NPC181527
Remote Similarity 0.6622 NPC83214
Remote Similarity 0.6612 NPC121872
Remote Similarity 0.6612 NPC209764
Remote Similarity 0.6612 NPC159178
Remote Similarity 0.6612 NPC471307
Remote Similarity 0.6612 NPC78041
Remote Similarity 0.6612 NPC74936
Remote Similarity 0.6612 NPC141139
Remote Similarity 0.6597 NPC314098
Remote Similarity 0.6594 NPC130931
Remote Similarity 0.6593 NPC188010
Remote Similarity 0.6581 NPC15839
Remote Similarity 0.6573 NPC111428
Remote Similarity 0.6571 NPC35996
Remote Similarity 0.6561 NPC473297
Remote Similarity 0.656 NPC311242
Remote Similarity 0.6558 NPC237649
Remote Similarity 0.6558 NPC300596
Remote Similarity 0.6552 NPC476685
Remote Similarity 0.6552 NPC476687
Remote Similarity 0.6552 NPC476689
Remote Similarity 0.6547 NPC71684
Remote Similarity 0.6543 NPC279527
Remote Similarity 0.6543 NPC214960
Remote Similarity 0.6543 NPC278887
Remote Similarity 0.6541 NPC154478
Remote Similarity 0.6541 NPC36495
Remote Similarity 0.6531 NPC300299
Remote Similarity 0.6529 NPC307396
Remote Similarity 0.6527 NPC274002
Remote Similarity 0.6527 NPC126515
Remote Similarity 0.6527 NPC472331
Remote Similarity 0.651 NPC319645
Remote Similarity 0.65 NPC39818
Remote Similarity 0.6494 NPC254798
Remote Similarity 0.6494 NPC315829
Remote Similarity 0.6485 NPC293255
Remote Similarity 0.6485 NPC210415
Remote Similarity 0.6485 NPC276993
Remote Similarity 0.6485 NPC181138
Remote Similarity 0.6485 NPC21752
Remote Similarity 0.6485 NPC298851
Remote Similarity 0.6481 NPC470069
Remote Similarity 0.6481 NPC52059
Remote Similarity 0.6479 NPC472244
Remote Similarity 0.6479 NPC470343
Remote Similarity 0.6479 NPC101719
Remote Similarity 0.6478 NPC123241
Remote Similarity 0.6471 NPC245741
Remote Similarity 0.6463 NPC280548
Remote Similarity 0.6463 NPC253476
Remote Similarity 0.646 NPC472120
Remote Similarity 0.646 NPC476231
Remote Similarity 0.646 NPC176983
Remote Similarity 0.646 NPC472101
Remote Similarity 0.646 NPC286871
Remote Similarity 0.6456 NPC161827
Remote Similarity 0.6452 NPC471309
Remote Similarity 0.6449 NPC314992
Remote Similarity 0.6446 NPC111233
Remote Similarity 0.6438 NPC207428
Remote Similarity 0.6438 NPC67056
Remote Similarity 0.6437 NPC276430
Remote Similarity 0.6429 NPC293628
Remote Similarity 0.6429 NPC146370
Remote Similarity 0.6429 NPC122493
Remote Similarity 0.6429 NPC10781
Remote Similarity 0.6429 NPC324569
Remote Similarity 0.6423 NPC2265
Remote Similarity 0.641 NPC307456
Remote Similarity 0.6408 NPC226794
Remote Similarity 0.6408 NPC222466
Remote Similarity 0.6405 NPC314186
Remote Similarity 0.6403 NPC177684
Remote Similarity 0.6403 NPC291962
Remote Similarity 0.6395 NPC282092
Remote Similarity 0.6391 NPC91179
Remote Similarity 0.6382 NPC477155
Remote Similarity 0.638 NPC472106
Remote Similarity 0.6377 NPC470545
Remote Similarity 0.6375 NPC113946
Remote Similarity 0.6371 NPC323164
Remote Similarity 0.6358 NPC293458
Remote Similarity 0.6357 NPC161956
Remote Similarity 0.6357 NPC112373
Remote Similarity 0.6357 NPC258531
Remote Similarity 0.6352 NPC207726
Remote Similarity 0.6349 NPC25565
Remote Similarity 0.6347 NPC13367
Remote Similarity 0.6347 NPC248862
Remote Similarity 0.6346 NPC242000
Remote Similarity 0.6345 NPC122235
Remote Similarity 0.634 NPC308197
Remote Similarity 0.634 NPC478040
Remote Similarity 0.6338 NPC474082
Remote Similarity 0.6338 NPC175726
Remote Similarity 0.6336 NPC67043
Remote Similarity 0.6331 NPC220698
Remote Similarity 0.6331 NPC213468
Remote Similarity 0.6331 NPC248462
Remote Similarity 0.6331 NPC470546
Remote Similarity 0.6331 NPC310467

Drug Structure

External Identifiers

TTD   DAP000842
DrugBank   DB00357
ChEMBL   CHEMBL488
IUPHAR/BPS   7054
PharmaGKB   PA448375
KEGG Drug   D00574
PubChem CID   2145
ChEBI   2654
CAS Number  125-84-8

Drug Properties

Molecular Weight  232.12
ALogP  -1.5669
MLogP  2.45
XLogP  1.931
HDA  4
HBD  2
Rotatable Bonds  5
TPSA  75.68
RO5 Violation  0