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DocumentationIdentifier: MM39753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39753 |
| SMILES |
CN(C)C(C#N)C=CC#N
|
| InChIKey |
MFYOTEFSEMWYCX-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200697
Similarity: 0.7864
Similarity to MM200697
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395381
Similarity: 0.6825
Similarity to MM395381
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8113 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53623
Similarity: 0.6772
Similarity to MM53623
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8075 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
