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 |
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.
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 |
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 |