Drug Information

Drug ID:  NPD958
Drug Name:  Ethacrynic Acid
Molecular Formula:  C13H12Cl2O4
Canonical SMILES:  CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O
Standard InCHI:  InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
Standard InCHIKey:  AVOLMBLBETYQHX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD958

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 NPC282294
Intermediate Similarity 0.7974 NPC86087
Intermediate Similarity 0.7935 NPC182475
Intermediate Similarity 0.7383 NPC291189
Intermediate Similarity 0.7383 NPC69403
Intermediate Similarity 0.7379 NPC470860
Intermediate Similarity 0.7303 NPC475236
Intermediate Similarity 0.7299 NPC472032
Intermediate Similarity 0.729 NPC104854
Intermediate Similarity 0.7285 NPC221798
Intermediate Similarity 0.7188 NPC284409
Intermediate Similarity 0.717 NPC64230
Intermediate Similarity 0.717 NPC71638
Intermediate Similarity 0.7161 NPC66246
Intermediate Similarity 0.7161 NPC170546
Intermediate Similarity 0.7153 NPC23332
Intermediate Similarity 0.7151 NPC108278
Intermediate Similarity 0.7123 NPC252004
Intermediate Similarity 0.7119 NPC107283
Intermediate Similarity 0.7115 NPC30390
Intermediate Similarity 0.7115 NPC183348
Intermediate Similarity 0.7115 NPC282230
Intermediate Similarity 0.7114 NPC61779
Intermediate Similarity 0.711 NPC298401
Intermediate Similarity 0.7097 NPC2596
Intermediate Similarity 0.7089 NPC66158
Intermediate Similarity 0.7086 NPC234053
Intermediate Similarity 0.7086 NPC68850
Intermediate Similarity 0.7083 NPC183648
Intermediate Similarity 0.7081 NPC39409
Intermediate Similarity 0.7075 NPC220540
Intermediate Similarity 0.707 NPC470977
Intermediate Similarity 0.707 NPC11173
Intermediate Similarity 0.707 NPC15083
Intermediate Similarity 0.707 NPC196979
Intermediate Similarity 0.707 NPC470976
Intermediate Similarity 0.7069 NPC473696
Intermediate Similarity 0.7063 NPC294470
Intermediate Similarity 0.7055 NPC184053
Intermediate Similarity 0.7047 NPC204617
Intermediate Similarity 0.7047 NPC293424
Intermediate Similarity 0.7045 NPC474061
Intermediate Similarity 0.7039 NPC90577
Intermediate Similarity 0.7027 NPC471803
Intermediate Similarity 0.7025 NPC76453
Intermediate Similarity 0.7013 NPC52035
Intermediate Similarity 0.7011 NPC472405
Intermediate Similarity 0.7006 NPC129650
Intermediate Similarity 0.7 NPC139519
Remote Similarity 0.6993 NPC141252
Remote Similarity 0.6993 NPC473942
Remote Similarity 0.6993 NPC11799
Remote Similarity 0.6989 NPC121100
Remote Similarity 0.6989 NPC58653
Remote Similarity 0.6989 NPC173352
Remote Similarity 0.6984 NPC313541
Remote Similarity 0.698 NPC161768
Remote Similarity 0.697 NPC473090
Remote Similarity 0.6952 NPC471807
Remote Similarity 0.6952 NPC471810
Remote Similarity 0.6952 NPC471806
Remote Similarity 0.6949 NPC28669
Remote Similarity 0.6944 NPC470422
Remote Similarity 0.6943 NPC939
Remote Similarity 0.6943 NPC473019
Remote Similarity 0.6939 NPC11824
Remote Similarity 0.6933 NPC27633
Remote Similarity 0.6933 NPC94298
Remote Similarity 0.6932 NPC470081
Remote Similarity 0.6923 NPC477941
Remote Similarity 0.6923 NPC16651
Remote Similarity 0.6923 NPC32163
Remote Similarity 0.6918 NPC57879
Remote Similarity 0.6918 NPC50763
Remote Similarity 0.6918 NPC111888
Remote Similarity 0.6909 NPC150023
Remote Similarity 0.6908 NPC225245
Remote Similarity 0.6903 NPC165556
Remote Similarity 0.6903 NPC470858
Remote Similarity 0.6899 NPC298268
Remote Similarity 0.6899 NPC285776
Remote Similarity 0.6899 NPC109778
Remote Similarity 0.6898 NPC471805
Remote Similarity 0.6898 NPC471813
Remote Similarity 0.6897 NPC259554
Remote Similarity 0.6897 NPC234639
Remote Similarity 0.6894 NPC303217
Remote Similarity 0.689 NPC79908
Remote Similarity 0.689 NPC326065
Remote Similarity 0.689 NPC80098
Remote Similarity 0.6887 NPC264976
Remote Similarity 0.6886 NPC291153
Remote Similarity 0.6885 NPC471801
Remote Similarity 0.6882 NPC116822
Remote Similarity 0.6879 NPC313922
Remote Similarity 0.6879 NPC2401
Remote Similarity 0.6875 NPC159418
Remote Similarity 0.6875 NPC283823
Remote Similarity 0.6871 NPC325625
Remote Similarity 0.6867 NPC200207
Remote Similarity 0.6867 NPC469954
Remote Similarity 0.6864 NPC211811
Remote Similarity 0.6859 NPC474476
Remote Similarity 0.6859 NPC154275
Remote Similarity 0.6855 NPC125153
Remote Similarity 0.6845 NPC471812
Remote Similarity 0.6845 NPC471804
Remote Similarity 0.6842 NPC230951
Remote Similarity 0.6842 NPC295650
Remote Similarity 0.6839 NPC472404
Remote Similarity 0.6832 NPC311339
Remote Similarity 0.6831 NPC28160
Remote Similarity 0.6831 NPC471802
Remote Similarity 0.6826 NPC213900
Remote Similarity 0.6826 NPC470216
Remote Similarity 0.6821 NPC152159
Remote Similarity 0.6818 NPC311219
Remote Similarity 0.6815 NPC293387
Remote Similarity 0.6815 NPC121104
Remote Similarity 0.6815 NPC37512
Remote Similarity 0.6813 NPC153453
Remote Similarity 0.6813 NPC470859
Remote Similarity 0.6813 NPC477568
Remote Similarity 0.6813 NPC302844
Remote Similarity 0.6809 NPC470100
Remote Similarity 0.6807 NPC28326
Remote Similarity 0.6806 NPC1065
Remote Similarity 0.6805 NPC294972
Remote Similarity 0.6805 NPC472969
Remote Similarity 0.68 NPC131192
Remote Similarity 0.6796 NPC188618
Remote Similarity 0.6795 NPC473626
Remote Similarity 0.6793 NPC306240
Remote Similarity 0.6792 NPC327457
Remote Similarity 0.6792 NPC86774
Remote Similarity 0.6792 NPC66905
Remote Similarity 0.679 NPC212729
Remote Similarity 0.6789 NPC247104
Remote Similarity 0.6788 NPC230902
Remote Similarity 0.6786 NPC474044
Remote Similarity 0.6782 NPC472623
Remote Similarity 0.678 NPC269383
Remote Similarity 0.678 NPC474096
Remote Similarity 0.678 NPC151030
Remote Similarity 0.6776 NPC45072
Remote Similarity 0.6774 NPC475691
Remote Similarity 0.6774 NPC474691
Remote Similarity 0.677 NPC129889
Remote Similarity 0.677 NPC19719
Remote Similarity 0.677 NPC307006
Remote Similarity 0.677 NPC477280
Remote Similarity 0.677 NPC477281
Remote Similarity 0.6768 NPC107571
Remote Similarity 0.6766 NPC469615
Remote Similarity 0.6765 NPC73411
Remote Similarity 0.6765 NPC98809
Remote Similarity 0.6765 NPC215711
Remote Similarity 0.6765 NPC476394
Remote Similarity 0.6757 NPC48525
Remote Similarity 0.6755 NPC217423
Remote Similarity 0.6755 NPC45104
Remote Similarity 0.6755 NPC313386
Remote Similarity 0.6755 NPC240664
Remote Similarity 0.6755 NPC316091
Remote Similarity 0.6752 NPC110211
Remote Similarity 0.6752 NPC204579
Remote Similarity 0.6748 NPC170604
Remote Similarity 0.6748 NPC215109
Remote Similarity 0.6746 NPC148011
Remote Similarity 0.6746 NPC229190
Remote Similarity 0.6746 NPC1940
Remote Similarity 0.674 NPC277865
Remote Similarity 0.6737 NPC221185
Remote Similarity 0.6737 NPC220369
Remote Similarity 0.6736 NPC128730
Remote Similarity 0.6733 NPC51345
Remote Similarity 0.6731 NPC89630
Remote Similarity 0.6731 NPC184219
Remote Similarity 0.673 NPC238309
Remote Similarity 0.673 NPC246991
Remote Similarity 0.673 NPC226855
Remote Similarity 0.6728 NPC144662
Remote Similarity 0.6728 NPC471110
Remote Similarity 0.6727 NPC288452
Remote Similarity 0.6727 NPC473988
Remote Similarity 0.6727 NPC475045
Remote Similarity 0.6727 NPC201370
Remote Similarity 0.6727 NPC473983
Remote Similarity 0.6727 NPC289690
Remote Similarity 0.6726 NPC469683
Remote Similarity 0.6726 NPC113397
Remote Similarity 0.6725 NPC473091
Remote Similarity 0.6724 NPC473241
Remote Similarity 0.6721 NPC264922
Remote Similarity 0.672 NPC470099
Remote Similarity 0.6711 NPC109241
Remote Similarity 0.6711 NPC205502
Remote Similarity 0.671 NPC475692
Remote Similarity 0.6709 NPC281020
Remote Similarity 0.6709 NPC203719

Drug Structure

External Identifiers

TTD   DAP000748
DrugBank   DB00903
ChEMBL   CHEMBL456
IUPHAR/BPS   7179
PharmaGKB   PA449518
KEGG Drug   D00313
PubChem CID   3278
ChEBI   4876
CAS Number  58-54-8

Drug Properties

Molecular Weight  302.01
ALogP  1.4479
MLogP  2.23
XLogP  2.362
HDA  3
HBD  1
Rotatable Bonds  10
TPSA  63.6
RO5 Violation  0