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DocumentationIdentifier: MM368659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368659 |
| SMILES |
CCC=CC#CC(=O)CC
|
| InChIKey |
MJTKAZOPFFRJIP-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170804
Similarity: 0.9136
Similarity to MM170804
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283032
Similarity: 0.8352
Similarity to MM283032
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9102 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368789
Similarity: 0.8315
Similarity to MM368789
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
