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DocumentationIdentifier: MM90236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90236 |
| SMILES |
C#CC=C(C=O)OCC#N
|
| InChIKey |
XRSSWFYICMFGQQ-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.24
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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MM179190
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| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM54866
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| Tanimoto metric | 0.7909 |
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| Cosine metric | 0.8893 |
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| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382655
Similarity: 0.7177
Similarity to MM382655
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8357 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+76 more
