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DocumentationIdentifier: MM339651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339651 |
| SMILES |
C=C(CC(C)C#N)C(C)O
|
| InChIKey |
XAVRKNUJXBKBTF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM344472
Similarity: 0.7227
Similarity to MM344472
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360526
Similarity: 0.6807
Similarity to MM360526
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.81 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383526
Similarity: 0.6573
Similarity to MM383526
| Tanimoto metric | 0.6573 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7932 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
