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DocumentationIdentifier: MM381666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381666 |
| SMILES |
C#CCC1NC1C(=O)C#C
|
| InChIKey |
BAZUBOJIJIYIAS-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388099
Similarity: 0.9451
Similarity to MM388099
| Tanimoto metric | 0.9451 |
|---|---|
| Cosine metric | 0.9721 |
| Dice metric | 0.9718 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376500
Similarity: 0.8516
Similarity to MM376500
| Tanimoto metric | 0.8516 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9199 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386284
Similarity: 0.835
Similarity to MM386284
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9101 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
