Drug ID:   | NPD957 |
Drug Name:   | Ethacrynate Sodium |
Molecular Formula:   | C13H12Cl2O4.Na |
Canonical SMILES:   | CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-].[Na+] |
Standard InCHI:   | InChI=1S/C13H12Cl2O4.Na/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);/q;+1/p-1 |
Standard InCHIKey:   | CWCSCNSKBSCYCS-UHFFFAOYSA-M |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.9792 | NPC282294 |
Intermediate Similarity | 0.7778 | NPC86087 |
Intermediate Similarity | 0.7742 | NPC182475 |
Intermediate Similarity | 0.7535 | NPC470860 |
Intermediate Similarity | 0.7305 | NPC23332 |
Intermediate Similarity | 0.7303 | NPC66246 |
Intermediate Similarity | 0.7303 | NPC170546 |
Intermediate Similarity | 0.7297 | NPC69403 |
Intermediate Similarity | 0.7297 | NPC291189 |
Intermediate Similarity | 0.7273 | NPC252004 |
Intermediate Similarity | 0.7273 | NPC108278 |
Intermediate Similarity | 0.7255 | NPC183348 |
Intermediate Similarity | 0.7255 | NPC282230 |
Intermediate Similarity | 0.7234 | NPC183648 |
Intermediate Similarity | 0.7225 | NPC472032 |
Intermediate Similarity | 0.7222 | NPC220540 |
Intermediate Similarity | 0.7219 | NPC475236 |
Intermediate Similarity | 0.7209 | NPC234053 |
Intermediate Similarity | 0.7208 | NPC470976 |
Intermediate Similarity | 0.7208 | NPC470977 |
Intermediate Similarity | 0.7208 | NPC15083 |
Intermediate Similarity | 0.7208 | NPC196979 |
Intermediate Similarity | 0.7208 | NPC11173 |
Intermediate Similarity | 0.72 | NPC221798 |
Intermediate Similarity | 0.7192 | NPC293424 |
Intermediate Similarity | 0.7181 | NPC90577 |
Intermediate Similarity | 0.7152 | NPC52035 |
Intermediate Similarity | 0.7133 | NPC11799 |
Intermediate Similarity | 0.7133 | NPC141252 |
Intermediate Similarity | 0.7123 | NPC161768 |
Intermediate Similarity | 0.7097 | NPC104854 |
Intermediate Similarity | 0.7063 | NPC57879 |
Intermediate Similarity | 0.7047 | NPC225245 |
Intermediate Similarity | 0.7045 | NPC107283 |
Intermediate Similarity | 0.7042 | NPC259554 |
Intermediate Similarity | 0.7039 | NPC470858 |
Intermediate Similarity | 0.7039 | NPC165556 |
Intermediate Similarity | 0.7035 | NPC298401 |
Intermediate Similarity | 0.7032 | NPC30390 |
Intermediate Similarity | 0.7027 | NPC61779 |
Intermediate Similarity | 0.7013 | NPC2596 |
Intermediate Similarity | 0.7011 | NPC68850 |
Intermediate Similarity | 0.7007 | NPC469954 |
Intermediate Similarity | 0.7006 | NPC66158 |
Intermediate Similarity | 0.7 | NPC284409 |
Remote Similarity | 0.6994 | NPC473696 |
Remote Similarity | 0.6993 | NPC154275 |
Remote Similarity | 0.6981 | NPC64230 |
Remote Similarity | 0.6981 | NPC71638 |
Remote Similarity | 0.698 | NPC230951 |
Remote Similarity | 0.6971 | NPC474061 |
Remote Similarity | 0.6962 | NPC311339 |
Remote Similarity | 0.6959 | NPC152159 |
Remote Similarity | 0.6957 | NPC471803 |
Remote Similarity | 0.695 | NPC1065 |
Remote Similarity | 0.6948 | NPC293387 |
Remote Similarity | 0.6948 | NPC37512 |
Remote Similarity | 0.6943 | NPC153453 |
Remote Similarity | 0.6943 | NPC470859 |
Remote Similarity | 0.6943 | NPC76453 |
Remote Similarity | 0.6933 | NPC28326 |
Remote Similarity | 0.6928 | NPC473626 |
Remote Similarity | 0.6919 | NPC39409 |
Remote Similarity | 0.6919 | NPC121100 |
Remote Similarity | 0.6914 | NPC58653 |
Remote Similarity | 0.6914 | NPC173352 |
Remote Similarity | 0.6908 | NPC474691 |
Remote Similarity | 0.6908 | NPC475691 |
Remote Similarity | 0.6908 | NPC473942 |
Remote Similarity | 0.6892 | NPC45104 |
Remote Similarity | 0.6892 | NPC217423 |
Remote Similarity | 0.6882 | NPC471806 |
Remote Similarity | 0.6882 | NPC471807 |
Remote Similarity | 0.6882 | NPC471810 |
Remote Similarity | 0.6879 | NPC128730 |
Remote Similarity | 0.6875 | NPC28669 |
Remote Similarity | 0.6875 | NPC294470 |
Remote Similarity | 0.6872 | NPC470422 |
Remote Similarity | 0.6871 | NPC184053 |
Remote Similarity | 0.6859 | NPC473019 |
Remote Similarity | 0.6859 | NPC939 |
Remote Similarity | 0.6857 | NPC470081 |
Remote Similarity | 0.6849 | NPC11824 |
Remote Similarity | 0.6846 | NPC94298 |
Remote Similarity | 0.6846 | NPC27633 |
Remote Similarity | 0.6846 | NPC204617 |
Remote Similarity | 0.6845 | NPC477941 |
Remote Similarity | 0.6842 | NPC475692 |
Remote Similarity | 0.6839 | NPC286683 |
Remote Similarity | 0.6839 | NPC472405 |
Remote Similarity | 0.6835 | NPC66643 |
Remote Similarity | 0.6835 | NPC273984 |
Remote Similarity | 0.6831 | NPC176971 |
Remote Similarity | 0.6829 | NPC27220 |
Remote Similarity | 0.6828 | NPC471813 |
Remote Similarity | 0.6828 | NPC471805 |
Remote Similarity | 0.6826 | NPC129650 |
Remote Similarity | 0.6825 | NPC313541 |
Remote Similarity | 0.6821 | NPC295317 |
Remote Similarity | 0.6815 | NPC285776 |
Remote Similarity | 0.6815 | NPC109778 |
Remote Similarity | 0.6813 | NPC471801 |
Remote Similarity | 0.6813 | NPC139519 |
Remote Similarity | 0.681 | NPC136095 |
Remote Similarity | 0.6809 | NPC38209 |
Remote Similarity | 0.6806 | NPC234639 |
Remote Similarity | 0.68 | NPC264976 |
Remote Similarity | 0.6796 | NPC175804 |
Remote Similarity | 0.6795 | NPC2401 |
Remote Similarity | 0.6792 | NPC288743 |
Remote Similarity | 0.679 | NPC253616 |
Remote Similarity | 0.6788 | NPC473090 |
Remote Similarity | 0.6788 | NPC200207 |
Remote Similarity | 0.6786 | NPC211811 |
Remote Similarity | 0.6783 | NPC157473 |
Remote Similarity | 0.6783 | NPC151530 |
Remote Similarity | 0.6774 | NPC237868 |
Remote Similarity | 0.6774 | NPC471812 |
Remote Similarity | 0.6774 | NPC474476 |
Remote Similarity | 0.6774 | NPC471804 |
Remote Similarity | 0.6772 | NPC125153 |
Remote Similarity | 0.6768 | NPC474037 |
Remote Similarity | 0.6768 | NPC470856 |
Remote Similarity | 0.6765 | NPC295650 |
Remote Similarity | 0.6765 | NPC98028 |
Remote Similarity | 0.6763 | NPC472404 |
Remote Similarity | 0.6761 | NPC473855 |
Remote Similarity | 0.6758 | NPC28160 |
Remote Similarity | 0.6758 | NPC471802 |
Remote Similarity | 0.6758 | NPC472606 |
Remote Similarity | 0.6757 | NPC188907 |
Remote Similarity | 0.6753 | NPC107846 |
Remote Similarity | 0.6753 | NPC30216 |
Remote Similarity | 0.6752 | NPC473247 |
Remote Similarity | 0.6748 | NPC36414 |
Remote Similarity | 0.6747 | NPC470216 |
Remote Similarity | 0.6738 | NPC179686 |
Remote Similarity | 0.6738 | NPC298224 |
Remote Similarity | 0.6732 | NPC151237 |
Remote Similarity | 0.6732 | NPC27198 |
Remote Similarity | 0.6732 | NPC311219 |
Remote Similarity | 0.6731 | NPC475496 |
Remote Similarity | 0.6731 | NPC49852 |
Remote Similarity | 0.6731 | NPC16651 |
Remote Similarity | 0.6731 | NPC32163 |
Remote Similarity | 0.6731 | NPC121104 |
Remote Similarity | 0.673 | NPC111888 |
Remote Similarity | 0.673 | NPC50763 |
Remote Similarity | 0.6728 | NPC61546 |
Remote Similarity | 0.6728 | NPC72452 |
Remote Similarity | 0.6728 | NPC268081 |
Remote Similarity | 0.6727 | NPC150023 |
Remote Similarity | 0.6726 | NPC294972 |
Remote Similarity | 0.6722 | NPC188618 |
Remote Similarity | 0.6721 | NPC306240 |
Remote Similarity | 0.6712 | NPC233238 |
Remote Similarity | 0.6711 | NPC131192 |
Remote Similarity | 0.671 | NPC2771 |
Remote Similarity | 0.671 | NPC65041 |
Remote Similarity | 0.6709 | NPC298268 |
Remote Similarity | 0.6709 | NPC299010 |
Remote Similarity | 0.6709 | NPC86774 |
Remote Similarity | 0.6709 | NPC327457 |
Remote Similarity | 0.6708 | NPC66705 |
Remote Similarity | 0.6708 | NPC303217 |
Remote Similarity | 0.6708 | NPC125269 |
Remote Similarity | 0.6707 | NPC80098 |
Remote Similarity | 0.6707 | NPC326065 |
Remote Similarity | 0.6707 | NPC79908 |
Remote Similarity | 0.6707 | NPC230902 |
Remote Similarity | 0.6707 | NPC291153 |
Remote Similarity | 0.6707 | NPC171656 |
Remote Similarity | 0.6706 | NPC116822 |
Remote Similarity | 0.6705 | NPC472623 |
Remote Similarity | 0.6705 | NPC269383 |
Remote Similarity | 0.6705 | NPC313922 |
Remote Similarity | 0.6705 | NPC151030 |
Remote Similarity | 0.6705 | NPC474096 |
Remote Similarity | 0.6703 | NPC45072 |
Remote Similarity | 0.669 | NPC283546 |
Remote Similarity | 0.6688 | NPC473907 |
Remote Similarity | 0.6688 | NPC50583 |
Remote Similarity | 0.6687 | NPC159418 |
Remote Similarity | 0.6687 | NPC325625 |
Remote Similarity | 0.6687 | NPC103001 |
Remote Similarity | 0.6687 | NPC283823 |
Remote Similarity | 0.6687 | NPC472840 |
Remote Similarity | 0.6684 | NPC313386 |
Remote Similarity | 0.6684 | NPC316091 |
Remote Similarity | 0.6667 | NPC161611 |
Remote Similarity | 0.6667 | NPC240664 |
Remote Similarity | 0.6667 | NPC474388 |
Remote Similarity | 0.6667 | NPC221185 |
Remote Similarity | 0.6667 | NPC279596 |
Remote Similarity | 0.6667 | NPC472535 |
Remote Similarity | 0.6667 | NPC204579 |
Remote Similarity | 0.6667 | NPC474170 |
Remote Similarity | 0.6667 | NPC314329 |
Remote Similarity | 0.6667 | NPC220369 |
Remote Similarity | 0.6667 | NPC110211 |
Molecular Weight   | 301.00 |
ALogP   | 0.7701 |
MLogP   | 2.23 |
XLogP   | 1.881 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 10 |
TPSA   | 66.43 |
RO5 Violation   | 0 |