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DocumentationIdentifier: MM51367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51367 |
| SMILES |
CC(=CC(N)=O)CN(C)C
|
| InChIKey |
ZANLYFVXYHLCNM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.02
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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MM136459
Similarity: 0.8333
Similarity to MM136459
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238414
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Similarity to MM238414
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8416 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM74656
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Similarity to MM74656
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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