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DocumentationIdentifier: MM349145
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349145 |
| SMILES |
C#CC1(C#C)CN1CC=O
|
| InChIKey |
KXOZJCYBHIRYHQ-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.49
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: 0.887
Similarity to MM354086
| Tanimoto metric | 0.887 |
|---|---|
| Cosine metric | 0.9418 |
| Dice metric | 0.9401 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407918
Similarity: 0.7476
Similarity to MM407918
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8556 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430857
Similarity: 0.7269
Similarity to MM430857
| Tanimoto metric | 0.7269 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8418 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+24 more
