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DocumentationIdentifier: MM448556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448556 |
| SMILES |
C#CC=CCCNCCN
|
| InChIKey |
PAJNBYHXVXJDJK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213731
Similarity: 0.8462
Similarity to MM213731
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213232
Similarity: 0.7846
Similarity to MM213232
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448988
Similarity: 0.7534
Similarity to MM448988
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8594 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+985 more
