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DocumentationIdentifier: MM15590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15590 |
| SMILES |
C#CCC(=O)C#CC#N
|
| InChIKey |
NTGLMEZMVRJEPM-UHFFFAOYSA-N
|
| MW [Da] |
117.11
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
MM359273
Similarity: 0.9359
Similarity to MM359273
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281360
Similarity: 0.8293
Similarity to MM281360
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9067 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37250
Similarity: 0.8219
Similarity to MM37250
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 107.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
