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DocumentationIdentifier: MM268806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268806 |
| SMILES |
C#CC(=C)C(N)CC(C)N
|
| InChIKey |
VYVLFTIRYSXNNS-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350001
Similarity: 0.6978
Similarity to MM350001
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.822 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133625
Similarity: 0.6797
Similarity to MM133625
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8093 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90987
Similarity: 0.6471
Similarity to MM90987
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7857 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
