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DocumentationIdentifier: MM326966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326966 |
| SMILES |
CCC(C#N)CC(C)C=O
|
| InChIKey |
JJTMTXPVOWCSRK-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.76
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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MM141813
Similarity: 0.7692
Similarity to MM141813
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198919
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Similarity to MM198919
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386875
Similarity: 0.7229
Similarity to MM386875
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8392 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
