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DocumentationIdentifier: MM292457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292457 |
| SMILES |
C#CCC(=O)COCCO
|
| InChIKey |
JFPQMEXBTVHNSN-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292456
Similarity: 0.8041
Similarity to MM292456
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8914 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251020
Similarity: 0.767
Similarity to MM251020
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8681 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166409
Similarity: 0.7582
Similarity to MM166409
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
