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DocumentationIdentifier: MM62871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62871 |
| SMILES |
C=CC(C)=CC(C=C)NC
|
| InChIKey |
DBCCJUKLRWSSJS-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM76800
Similarity: 0.8316
Similarity to MM76800
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143513
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Similarity to MM143513
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM266496
Similarity: 0.7248
Similarity to MM266496
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8404 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
