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DocumentationIdentifier: MM383898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383898 |
| SMILES |
C=CC=CC(=CC=C)CN
|
| InChIKey |
YIIZEHUHCLLDGQ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179420
Similarity: 0.8795
Similarity to MM179420
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200976
Similarity: 0.8554
Similarity to MM200976
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM79329
Similarity: 0.7813
Similarity to MM79329
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8772 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
