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DocumentationIdentifier: MM318293
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318293 |
| SMILES |
C#CC(C)CCC(=O)CC
|
| InChIKey |
GUYFGKXGMBQJGJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144538
Similarity: 0.8421
Similarity to MM144538
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341671
Similarity: 0.7711
Similarity to MM341671
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8707 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302514
Similarity: 0.75
Similarity to MM302514
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
