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DocumentationIdentifier: MM312961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312961 |
| SMILES |
C#CC(C#N)(CC)CC#N
|
| InChIKey |
LHHCPUFYAJKIIT-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42415
Similarity: 0.7629
Similarity to MM42415
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53098
Similarity: 0.7113
Similarity to MM53098
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139482
Similarity: 0.6804
Similarity to MM139482
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8098 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+337 more
