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DocumentationIdentifier: MM225093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225093 |
| SMILES |
CN(C=N)C=CC(C)(C)C
|
| InChIKey |
NEWAKCMGXILXOK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.09
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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| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131831
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| Tanimoto metric | 0.7534 |
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| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
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| AI: | 0
Total active interactions
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MM321375
Similarity: 0.7303
Similarity to MM321375
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8442 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
