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DocumentationIdentifier: MM322111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322111 |
| SMILES |
C=CC(=C)C=CN(C)C=O
|
| InChIKey |
HWDCGNUEHALXAL-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM145620
Similarity: 0.8222
Similarity to MM145620
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169998
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| Tanimoto metric | 0.7444 |
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| Cosine metric | 0.8628 |
| Dice metric | 0.8535 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM321897
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Similarity to MM321897
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8197 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
