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DocumentationIdentifier: MM371258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371258 |
| SMILES |
C#CC(=O)NCC#CC=C
|
| InChIKey |
YLYGYNRMPQEGPB-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167731
Similarity: 0.8193
Similarity to MM167731
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84038
Similarity: 0.8105
Similarity to MM84038
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8953 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371278
Similarity: 0.7582
Similarity to MM371278
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8625 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
