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DocumentationIdentifier: MM295763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295763 |
| SMILES |
C=C(C)C(C)=CC#CC=O
|
| InChIKey |
YCTWIBPXFXBDDX-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
MM164033
Similarity: 0.8211
Similarity to MM164033
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406133
Similarity: 0.8137
Similarity to MM406133
| 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
|
MM295761
Similarity: 0.7647
Similarity to MM295761
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8667 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
