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DocumentationIdentifier: MM329701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329701 |
| SMILES |
C=CC(=N)NC(C=C)CC
|
| InChIKey |
JENQRAJQTLPVRN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.7
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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MM329293
Similarity: 0.7652
Similarity to MM329293
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.867 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245854
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| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8653 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142140
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| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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