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DocumentationIdentifier: MM397029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397029 |
| SMILES |
C#CC(C#C)C(C)C(C)O
|
| InChIKey |
GPGONAFAUAJWFG-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407039
Similarity: 0.883
Similarity to MM407039
| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404444
Similarity: 0.7281
Similarity to MM404444
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8426 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297581
Similarity: 0.6917
Similarity to MM297581
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8177 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
