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DocumentationIdentifier: MM234448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234448 |
| SMILES |
C#CCC(C)(O)C#CC#N
|
| InChIKey |
MRJJYIWJEIQFNU-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139027
Similarity: 0.789
Similarity to MM139027
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132520
Similarity: 0.7798
Similarity to MM132520
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234201
Similarity: 0.7143
Similarity to MM234201
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8333 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
