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DocumentationIdentifier: MM268949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268949 |
| SMILES |
C#CCC(=O)C1NC1C#C
|
| InChIKey |
DMIRRRKMLSBXTC-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
MM442790
Similarity: 0.89
Similarity to MM442790
| Tanimoto metric | 0.89 |
|---|---|
| Cosine metric | 0.9434 |
| Dice metric | 0.9418 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263586
Similarity: 0.81
Similarity to MM263586
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152347
Similarity: 0.7325
Similarity to MM152347
| Tanimoto metric | 0.7325 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8456 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
