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DocumentationIdentifier: MM272622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272622 |
| SMILES |
C#CC(CCC)CC(=N)N
|
| InChIKey |
YZYDSODWKLDZKJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150094
Similarity: 0.8077
Similarity to MM150094
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135167
Similarity: 0.6827
Similarity to MM135167
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8114 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272648
Similarity: 0.6489
Similarity to MM272648
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.787 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
