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DocumentationIdentifier: MM404410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404410 |
| SMILES |
C#CCCCN(C=C)C=N
|
| InChIKey |
DTWQKTODSXRVNL-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
MM199196
Similarity: 0.8172
Similarity to MM199196
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404134
Similarity: 0.7238
Similarity to MM404134
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8398 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340246
Similarity: 0.717
Similarity to MM340246
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8352 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
