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DocumentationIdentifier: MM241111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241111 |
| SMILES |
COCC=CC(C)(C)C#N
|
| InChIKey |
NGOJDIUOJCXXBC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.74
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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MM169613
Similarity: 0.8442
Similarity to MM169613
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363457
Similarity: 0.7647
Similarity to MM363457
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8667 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+652 more
