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DocumentationIdentifier: MM301924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301924 |
| SMILES |
C#CCCCC(N)C(=N)N
|
| InChIKey |
CHVFWKYGXAVNAI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162348
Similarity: 0.7182
Similarity to MM162348
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.836 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245167
Similarity: 0.6512
Similarity to MM245167
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7913 |
| Dice metric | 0.7887 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236693
Similarity: 0.6303
Similarity to MM236693
| Tanimoto metric | 0.6303 |
|---|---|
| Cosine metric | 0.7732 |
| Dice metric | 0.7732 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
