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DocumentationIdentifier: MM428515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM428515 |
| SMILES |
C#CC(CC)N1CC1C#C
|
| InChIKey |
DYFAAJMWHJFOHL-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195130
Similarity: 0.8389
Similarity to MM195130
| Tanimoto metric | 0.8389 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9124 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM211117
Similarity: 0.8255
Similarity to MM211117
| Tanimoto metric | 0.8255 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9044 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM428308
Similarity: 0.7962
Similarity to MM428308
| Tanimoto metric | 0.7962 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8865 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
