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DocumentationIdentifier: MM16135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16135 |
| SMILES |
N#CCOCC#CC(=O)O
|
| InChIKey |
DTGFDDKTERLMOE-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394893
Similarity: 0.8158
Similarity to MM394893
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-prop-2-ynoxybut-2-ynoic Acid
Similarity: 0.7975
Similarity to 4-prop-2-ynoxybut-2-ynoic Acid
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8873 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69176
Similarity: 0.7805
Similarity to MM69176
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8767 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
