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Documentation4-prop-2-ynoxybut-2-ynoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03277 |
| SMILES |
C#CCOCC#CC(=O)O
|
| InChIKey |
MSDYZUXVIAJCGU-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
11389420
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394893
Similarity: 0.9394
Similarity to MM394893
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69176
Similarity: 0.863
Similarity to MM69176
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9265 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367880
Similarity: 0.8182
Similarity to MM367880
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9015 |
| Dice metric | 0.9 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
