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DocumentationIdentifier: MM239025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239025 |
| SMILES |
C#CC(C#N)C(C)(C)C=O
|
| InChIKey |
XZGDECNYJUTIPG-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15708
Similarity: 0.7736
Similarity to MM15708
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306724
Similarity: 0.7302
Similarity to MM306724
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.844 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137686
Similarity: 0.6415
Similarity to MM137686
| Tanimoto metric | 0.6415 |
|---|---|
| Cosine metric | 0.8009 |
| Dice metric | 0.7816 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
