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DocumentationIdentifier: MM341684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341684 |
| SMILES |
C#CC(C#C)COC(C)=O
|
| InChIKey |
YSIKETHOXODAOA-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144563
Similarity: 0.907
Similarity to MM144563
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228249
Similarity: 0.7723
Similarity to MM228249
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8715 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318410
Similarity: 0.7647
Similarity to MM318410
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8667 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
