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DocumentationIdentifier: MM407918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407918 |
| SMILES |
C#CC1(C)CN1C(C)C=O
|
| InChIKey |
VEBVJUSFNRPSFH-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354086
Similarity: 0.8263
Similarity to MM354086
| Tanimoto metric | 0.8263 |
|---|---|
| Cosine metric | 0.909 |
| Dice metric | 0.9049 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349145
Similarity: 0.7476
Similarity to MM349145
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8556 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM147691
Similarity: 0.7316
Similarity to MM147691
| Tanimoto metric | 0.7316 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.845 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
