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DocumentationIdentifier: MM162348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162348 |
| SMILES |
C#CCCC(N)C(=N)N
|
| InChIKey |
SECXRSZPECIENV-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349509
Similarity: 0.7339
Similarity to MM349509
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8465 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301924
Similarity: 0.7182
Similarity to MM301924
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.836 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245526
Similarity: 0.7054
Similarity to MM245526
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
