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DocumentationIdentifier: MM180645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180645 |
| SMILES |
C=CC(=CC#N)C(C)O
|
| InChIKey |
IRHIEDIVGNAICA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86507
Similarity: 0.7591
Similarity to MM86507
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383550
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Similarity to MM383550
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM383554
Similarity: 0.7429
Similarity to MM383554
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
