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DocumentationIdentifier: MM451774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451774 |
| SMILES |
C=CCCN=CNCC=C
|
| InChIKey |
MLMLBNOWOFDAEW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214820
Similarity: 0.8462
Similarity to MM214820
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93978
Similarity: 0.7237
Similarity to MM93978
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8397 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451776
Similarity: 0.7089
Similarity to MM451776
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8296 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
