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DocumentationIdentifier: MM425552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425552 |
| SMILES |
C=CC(C#N)C=CCOC
|
| InChIKey |
UDVJJPKRSXMFIF-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169613
Similarity: 0.7831
Similarity to MM169613
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363457
Similarity: 0.7143
Similarity to MM363457
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8333 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM241111
Similarity: 0.7021
Similarity to MM241111
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8256 |
| Dice metric | 0.825 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
