Drug Information

Drug ID:  NPD1018
Drug Name:  Glutethimide
Molecular Formula:  C13H15NO2
Canonical SMILES:  CCC1(CCC(=NC1=O)O)c1ccccc1
Standard InCHI:  InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
Standard InCHIKey:  JMBQKKAJIKAWKF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1018

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
Intermediate Similarity 0.8291 NPC474926
Intermediate Similarity 0.7965 NPC33742
Intermediate Similarity 0.7944 NPC471317
Intermediate Similarity 0.783 NPC12730
Intermediate Similarity 0.767 NPC226438
Intermediate Similarity 0.7619 NPC303045
Intermediate Similarity 0.7619 NPC161972
Intermediate Similarity 0.7455 NPC164859
Intermediate Similarity 0.7455 NPC202613
Intermediate Similarity 0.7436 NPC188010
Intermediate Similarity 0.7429 NPC323164
Intermediate Similarity 0.7414 NPC35850
Intermediate Similarity 0.7414 NPC276949
Intermediate Similarity 0.7373 NPC315276
Intermediate Similarity 0.7373 NPC14672
Intermediate Similarity 0.7373 NPC285926
Intermediate Similarity 0.7315 NPC311242
Intermediate Similarity 0.7308 NPC470877
Intermediate Similarity 0.7304 NPC319579
Intermediate Similarity 0.7282 NPC322387
Intermediate Similarity 0.7257 NPC327481
Intermediate Similarity 0.7244 NPC316746
Intermediate Similarity 0.7238 NPC316108
Intermediate Similarity 0.7238 NPC78041
Intermediate Similarity 0.7238 NPC141139
Intermediate Similarity 0.7238 NPC121872
Intermediate Similarity 0.7238 NPC471307
Intermediate Similarity 0.7238 NPC74936
Intermediate Similarity 0.7238 NPC159178
Intermediate Similarity 0.7238 NPC209764
Intermediate Similarity 0.7212 NPC329064
Intermediate Similarity 0.7212 NPC325441
Intermediate Similarity 0.7203 NPC471318
Intermediate Similarity 0.7179 NPC474584
Intermediate Similarity 0.713 NPC58674
Intermediate Similarity 0.7115 NPC471638
Intermediate Similarity 0.7105 NPC274089
Intermediate Similarity 0.7105 NPC191215
Intermediate Similarity 0.7105 NPC473498
Intermediate Similarity 0.71 NPC127343
Intermediate Similarity 0.7094 NPC329011
Intermediate Similarity 0.7075 NPC258627
Intermediate Similarity 0.7075 NPC70940
Intermediate Similarity 0.7075 NPC274455
Intermediate Similarity 0.7075 NPC86670
Intermediate Similarity 0.7075 NPC172128
Intermediate Similarity 0.7064 NPC25565
Intermediate Similarity 0.7059 NPC285773
Intermediate Similarity 0.7059 NPC44830
Intermediate Similarity 0.7037 NPC471309
Intermediate Similarity 0.7025 NPC470545
Intermediate Similarity 0.7009 NPC86987
Intermediate Similarity 0.7 NPC324569
Intermediate Similarity 0.7 NPC10781
Intermediate Similarity 0.7 NPC197470
Intermediate Similarity 0.7 NPC293628
Intermediate Similarity 0.7 NPC122493
Intermediate Similarity 0.7 NPC475439
Intermediate Similarity 0.7 NPC473501
Remote Similarity 0.6972 NPC172925
Remote Similarity 0.6967 NPC470546
Remote Similarity 0.6967 NPC310467
Remote Similarity 0.6964 NPC128248
Remote Similarity 0.6964 NPC136810
Remote Similarity 0.6964 NPC133809
Remote Similarity 0.6964 NPC225079
Remote Similarity 0.6964 NPC264728
Remote Similarity 0.696 NPC175726
Remote Similarity 0.696 NPC474082
Remote Similarity 0.6957 NPC45033
Remote Similarity 0.6953 NPC116057
Remote Similarity 0.6953 NPC111428
Remote Similarity 0.6942 NPC470544
Remote Similarity 0.6931 NPC192623
Remote Similarity 0.6923 NPC158854
Remote Similarity 0.6923 NPC95965
Remote Similarity 0.6917 NPC236795
Remote Similarity 0.6887 NPC477693
Remote Similarity 0.6887 NPC12429
Remote Similarity 0.6887 NPC477704
Remote Similarity 0.6885 NPC169328
Remote Similarity 0.6881 NPC71140
Remote Similarity 0.6875 NPC54647
Remote Similarity 0.687 NPC67043
Remote Similarity 0.686 NPC235421
Remote Similarity 0.6855 NPC478015
Remote Similarity 0.6855 NPC478014
Remote Similarity 0.6855 NPC80150
Remote Similarity 0.6855 NPC478016
Remote Similarity 0.6855 NPC200964
Remote Similarity 0.6852 NPC245259
Remote Similarity 0.685 NPC101719
Remote Similarity 0.6846 NPC183722
Remote Similarity 0.6825 NPC35996
Remote Similarity 0.6822 NPC472413
Remote Similarity 0.6818 NPC256452
Remote Similarity 0.681 NPC85560
Remote Similarity 0.681 NPC244933
Remote Similarity 0.68 NPC71684
Remote Similarity 0.6786 NPC271475
Remote Similarity 0.6786 NPC322598
Remote Similarity 0.6786 NPC120393
Remote Similarity 0.6783 NPC275467
Remote Similarity 0.6777 NPC205652
Remote Similarity 0.6772 NPC317758
Remote Similarity 0.6772 NPC222466
Remote Similarity 0.6757 NPC469893
Remote Similarity 0.6731 NPC288903
Remote Similarity 0.6724 NPC471186
Remote Similarity 0.6723 NPC265513
Remote Similarity 0.672 NPC190663
Remote Similarity 0.6719 NPC472414
Remote Similarity 0.6719 NPC474479
Remote Similarity 0.6718 NPC255447
Remote Similarity 0.6716 NPC208725
Remote Similarity 0.6697 NPC141607
Remote Similarity 0.6697 NPC187725
Remote Similarity 0.6696 NPC274443
Remote Similarity 0.6696 NPC226041
Remote Similarity 0.6696 NPC469891
Remote Similarity 0.6696 NPC469890
Remote Similarity 0.6696 NPC247976
Remote Similarity 0.6696 NPC329556
Remote Similarity 0.6696 NPC469892
Remote Similarity 0.6694 NPC314992
Remote Similarity 0.6693 NPC472415
Remote Similarity 0.6693 NPC6975
Remote Similarity 0.6692 NPC473322
Remote Similarity 0.6667 NPC469457
Remote Similarity 0.6667 NPC218855
Remote Similarity 0.6667 NPC142326
Remote Similarity 0.6667 NPC246913
Remote Similarity 0.6667 NPC2265
Remote Similarity 0.6667 NPC94751
Remote Similarity 0.6641 NPC473938
Remote Similarity 0.664 NPC319950
Remote Similarity 0.6638 NPC224610
Remote Similarity 0.6638 NPC88267
Remote Similarity 0.6638 NPC194390
Remote Similarity 0.6638 NPC113326
Remote Similarity 0.6637 NPC317280
Remote Similarity 0.6637 NPC329387
Remote Similarity 0.6636 NPC198747
Remote Similarity 0.6614 NPC160493
Remote Similarity 0.6612 NPC93287
Remote Similarity 0.6612 NPC477476
Remote Similarity 0.6612 NPC477475
Remote Similarity 0.661 NPC249811
Remote Similarity 0.6609 NPC318154
Remote Similarity 0.6609 NPC244427
Remote Similarity 0.6609 NPC222390
Remote Similarity 0.6609 NPC304873
Remote Similarity 0.6607 NPC261947
Remote Similarity 0.6604 NPC294134
Remote Similarity 0.6589 NPC47667
Remote Similarity 0.6589 NPC4974
Remote Similarity 0.6583 NPC313981
Remote Similarity 0.6581 NPC105899
Remote Similarity 0.6581 NPC172483
Remote Similarity 0.6581 NPC476198
Remote Similarity 0.6579 NPC217621
Remote Similarity 0.6579 NPC221825
Remote Similarity 0.6577 NPC34243
Remote Similarity 0.6566 NPC285679
Remote Similarity 0.6565 NPC71271
Remote Similarity 0.656 NPC237420
Remote Similarity 0.656 NPC220698
Remote Similarity 0.6557 NPC130591
Remote Similarity 0.6557 NPC234637
Remote Similarity 0.6552 NPC255676
Remote Similarity 0.6552 NPC471310
Remote Similarity 0.6549 NPC477767
Remote Similarity 0.6549 NPC156021
Remote Similarity 0.6549 NPC33168
Remote Similarity 0.6544 NPC242159
Remote Similarity 0.6544 NPC313694
Remote Similarity 0.6542 NPC203076
Remote Similarity 0.6541 NPC42423
Remote Similarity 0.6538 NPC477937
Remote Similarity 0.6535 NPC202521
Remote Similarity 0.6525 NPC100767
Remote Similarity 0.6525 NPC475905
Remote Similarity 0.6525 NPC193640
Remote Similarity 0.6525 NPC25385
Remote Similarity 0.6522 NPC94487
Remote Similarity 0.6522 NPC161069
Remote Similarity 0.6518 NPC206764
Remote Similarity 0.6515 NPC200589
Remote Similarity 0.6515 NPC478147
Remote Similarity 0.6514 NPC231591
Remote Similarity 0.6504 NPC118202
Remote Similarity 0.6504 NPC215419
Remote Similarity 0.6496 NPC329282
Remote Similarity 0.6491 NPC229242
Remote Similarity 0.6481 NPC473031
Remote Similarity 0.648 NPC254088
Remote Similarity 0.6476 NPC230068
Remote Similarity 0.6475 NPC470253
Remote Similarity 0.6475 NPC143768
Remote Similarity 0.6475 NPC471481

Drug Structure

External Identifiers

TTD   DAP001305
DrugBank   DB01437
ChEMBL   CHEMBL1102
IUPHAR/BPS   7192
PharmaGKB   PA164749505
KEGG Drug   D00532
PubChem CID   3487
ChEBI   5439
CAS Number  77-21-4

Drug Properties

Molecular Weight  217.11
ALogP  -0.817
MLogP  2.56
XLogP  4.016
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  49.66
RO5 Violation  0