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DocumentationIdentifier: MM231696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231696 |
| SMILES |
CC(C)(C)C(O)C#CC#N
|
| InChIKey |
DAHUIEZVVVUAIQ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163515
Similarity: 0.8462
Similarity to MM163515
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132218
Similarity: 0.7802
Similarity to MM132218
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231649
Similarity: 0.703
Similarity to MM231649
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8256 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
