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DocumentationIdentifier: MM406133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406133 |
| SMILES |
C=CC(=CC#CC=O)CC
|
| InChIKey |
VLAMTLRGURWWPT-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295763
Similarity: 0.8137
Similarity to MM295763
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8973 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM202110
Similarity: 0.8111
Similarity to MM202110
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406131
Similarity: 0.7604
Similarity to MM406131
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.8657 |
| Dice metric | 0.8639 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
