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DocumentationIdentifier: MM137686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137686 |
| SMILES |
C#CC(C)C(C)(C)C=O
|
| InChIKey |
NHMJNPANDWGNTC-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239029
Similarity: 0.8831
Similarity to MM239029
| Tanimoto metric | 0.8831 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242645
Similarity: 0.7727
Similarity to MM242645
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM137736
Similarity: 0.7436
Similarity to MM137736
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8529 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
