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DocumentationIdentifier: MM359758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359758 |
| SMILES |
C=CC=CC(=C)C#CCN
|
| InChIKey |
RMBOGGBQAFSVMS-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158687
Similarity: 0.8736
Similarity to MM158687
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158274
Similarity: 0.7931
Similarity to MM158274
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359803
Similarity: 0.7677
Similarity to MM359803
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8686 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
