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DocumentationIdentifier: MM420635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420635 |
| SMILES |
CC=C(C#N)CC=CC#N
|
| InChIKey |
WMTNQVDNMUMKFK-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200385
Similarity: 0.878
Similarity to MM200385
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383388
Similarity: 0.8298
Similarity to MM383388
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.907 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420012
Similarity: 0.7826
Similarity to MM420012
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.878 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
