Drug ID:   | NPD8594 |
Drug Name:   | Succinic acid |
Molecular Formula:   | C4H6O4 |
Canonical SMILES:   | OC(=O)CCC(=O)O |
Standard InCHI:   | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
Standard InCHIKey:   | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; DrugBank |
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 | NPC236709 |
Intermediate Similarity | 0.8 | NPC198126 |
Intermediate Similarity | 0.7879 | NPC1037 |
Intermediate Similarity | 0.7857 | NPC149209 |
Intermediate Similarity | 0.7667 | NPC180423 |
Intermediate Similarity | 0.7647 | NPC321569 |
Intermediate Similarity | 0.7273 | NPC7814 |
Intermediate Similarity | 0.7143 | NPC317945 |
Intermediate Similarity | 0.7097 | NPC122768 |
Intermediate Similarity | 0.7097 | NPC292641 |
Intermediate Similarity | 0.7097 | NPC104195 |
Intermediate Similarity | 0.7097 | NPC151140 |
Intermediate Similarity | 0.7097 | NPC174368 |
Intermediate Similarity | 0.7097 | NPC61066 |
Intermediate Similarity | 0.7059 | NPC316685 |
Intermediate Similarity | 0.7037 | NPC181153 |
Intermediate Similarity | 0.7027 | NPC240109 |
Intermediate Similarity | 0.7 | NPC283626 |
Remote Similarity | 0.697 | NPC328710 |
Remote Similarity | 0.697 | NPC18224 |
Remote Similarity | 0.697 | NPC125575 |
Remote Similarity | 0.697 | NPC108238 |
Remote Similarity | 0.6944 | NPC128713 |
Remote Similarity | 0.6875 | NPC320981 |
Remote Similarity | 0.6842 | NPC19044 |
Remote Similarity | 0.6842 | NPC24751 |
Remote Similarity | 0.6842 | NPC100742 |
Remote Similarity | 0.6842 | NPC97444 |
Remote Similarity | 0.6842 | NPC121018 |
Remote Similarity | 0.6842 | NPC192402 |
Remote Similarity | 0.6667 | NPC3343 |
Remote Similarity | 0.6667 | NPC314668 |
Remote Similarity | 0.6667 | NPC280532 |
Remote Similarity | 0.6667 | NPC230726 |
Remote Similarity | 0.6667 | NPC169098 |
Remote Similarity | 0.6562 | NPC248139 |
Remote Similarity | 0.6471 | NPC175342 |
Remote Similarity | 0.641 | NPC35661 |
Remote Similarity | 0.6389 | NPC134782 |
Remote Similarity | 0.6364 | NPC16947 |
Remote Similarity | 0.6364 | NPC241404 |
Remote Similarity | 0.6341 | NPC285322 |
Remote Similarity | 0.6341 | NPC208793 |
Remote Similarity | 0.6333 | NPC28246 |
Remote Similarity | 0.6286 | NPC127142 |
Remote Similarity | 0.6286 | NPC307027 |
Remote Similarity | 0.625 | NPC289686 |
Remote Similarity | 0.625 | NPC234005 |
Remote Similarity | 0.6216 | NPC206924 |
Remote Similarity | 0.6176 | NPC328569 |
Remote Similarity | 0.6129 | NPC259649 |
Remote Similarity | 0.6129 | NPC286233 |
Remote Similarity | 0.6111 | NPC250870 |
Remote Similarity | 0.6111 | NPC317203 |
Remote Similarity | 0.6111 | NPC191084 |
Remote Similarity | 0.6111 | NPC168052 |
Remote Similarity | 0.6053 | NPC325454 |
Remote Similarity | 0.6053 | NPC268826 |
Remote Similarity | 0.5952 | NPC242655 |
Remote Similarity | 0.5952 | NPC38891 |
Remote Similarity | 0.5946 | NPC5505 |
Remote Similarity | 0.5946 | NPC155263 |
Remote Similarity | 0.5938 | NPC320704 |
Remote Similarity | 0.5938 | NPC143211 |
Remote Similarity | 0.5926 | NPC68873 |
Remote Similarity | 0.5909 | NPC227850 |
Remote Similarity | 0.5897 | NPC183424 |
Remote Similarity | 0.5897 | NPC214610 |
Remote Similarity | 0.5897 | NPC118968 |
Remote Similarity | 0.5897 | NPC294085 |
Remote Similarity | 0.5789 | NPC158179 |
Remote Similarity | 0.5789 | NPC109026 |
Remote Similarity | 0.5789 | NPC252843 |
Remote Similarity | 0.5778 | NPC137419 |
Remote Similarity | 0.5778 | NPC122212 |
Remote Similarity | 0.5778 | NPC293378 |
Remote Similarity | 0.5714 | NPC43264 |
Remote Similarity | 0.5714 | NPC212144 |
Remote Similarity | 0.5667 | NPC203105 |
Remote Similarity | 0.5667 | NPC8187 |
Remote Similarity | 0.5641 | NPC38930 |
Remote Similarity | 0.5641 | NPC73245 |
Remote Similarity | 0.5641 | NPC18188 |
Remote Similarity | 0.5625 | NPC166804 |
TTD   | DIB005716; DAP000545 |
DrugBank   | DB00139 |
ChEMBL   | CHEMBL576 |
IUPHAR/BPS   | |
PharmaGKB   | PA164747739 |
KEGG Drug   | |
PubChem CID   | 1110 |
ChEBI   | 15741 |
CAS Number   | 110-15-6 |
Molecular Weight   | 118.03 |
ALogP   | -0.41 |
MLogP   | 1.46 |
XLogP   | -0.71 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 74.6 |
RO5 Violation   | 0 |