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DocumentationIdentifier: MM163290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163290 |
| SMILES |
C=CC=CC(N)C(=C)C
|
| InChIKey |
GMTNIRYGJBORCJ-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293537
Similarity: 0.8804
Similarity to MM293537
| Tanimoto metric | 0.8804 |
|---|---|
| Cosine metric | 0.9383 |
| Dice metric | 0.9364 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255504
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| Tanimoto metric | 0.8351 |
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| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108613
Similarity: 0.8025
Similarity to MM108613
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
