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DocumentationIdentifier: MM91646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91646 |
| SMILES |
CC(C#N)OCC=CC#N
|
| InChIKey |
VXIHHKXKJFKLSX-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167314
Similarity: 0.9014
Similarity to MM167314
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91605
Similarity: 0.8421
Similarity to MM91605
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9143 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368568
Similarity: 0.7901
Similarity to MM368568
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8828 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
