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DocumentationIdentifier: MM379308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379308 |
| SMILES |
C#CCN1CC1C=O
|
| InChIKey |
HHLXIZDHJHNMJQ-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379495
Similarity: 0.8468
Similarity to MM379495
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379852
Similarity: 0.7778
Similarity to MM379852
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379218
Similarity: 0.7343
Similarity to MM379218
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8468 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
