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DocumentationIdentifier: MM388189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388189 |
| SMILES |
CC(C)C(C#N)C(C)C=O
|
| InChIKey |
BMMUMROQAGEYGJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179732
Similarity: 0.8
Similarity to MM179732
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388191
Similarity: 0.7391
Similarity to MM388191
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.85 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94200
Similarity: 0.7143
Similarity to MM94200
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8333 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
