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DocumentationIdentifier: MM400396
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400396 |
| SMILES |
C=CCC#CC(=O)C1CN1
|
| InChIKey |
MTSBENPPDJEWPV-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM399147
Similarity: 0.8926
Similarity to MM399147
| Tanimoto metric | 0.8926 |
|---|---|
| Cosine metric | 0.9448 |
| Dice metric | 0.9433 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400394
Similarity: 0.8581
Similarity to MM400394
| Tanimoto metric | 0.8581 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9236 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300239
Similarity: 0.8261
Similarity to MM300239
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
