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DocumentationIdentifier: MM358073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358073 |
| SMILES |
C#CC(C)C(O)C#CC#N
|
| InChIKey |
FNKQIQTVGYTAIT-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174609
Similarity: 0.81
Similarity to MM174609
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163515
Similarity: 0.77
Similarity to MM163515
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8701 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158458
Similarity: 0.74
Similarity to MM158458
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
