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DocumentationIdentifier: MM307190
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307190 |
| SMILES |
C#CCN(C(=C)C)C(C)=N
|
| InChIKey |
PVKGAHKQTUULRL-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80966
Similarity: 0.6939
Similarity to MM80966
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8193 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305870
Similarity: 0.6387
Similarity to MM305870
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7797 |
| Dice metric | 0.7795 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305878
Similarity: 0.6129
Similarity to MM305878
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7606 |
| Dice metric | 0.76 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
