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DocumentationIdentifier: MM378582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378582 |
| SMILES |
N#CCN1CC1C=O
|
| InChIKey |
DXJFERYTDQMHHU-UHFFFAOYSA-N
|
| MW [Da] |
110.12
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377325
Similarity: 0.7536
Similarity to MM377325
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378121
Similarity: 0.7376
Similarity to MM378121
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.849 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385549
Similarity: 0.7212
Similarity to MM385549
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
