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DocumentationIdentifier: MM159399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159399 |
| SMILES |
C=CC#CC(C)=CC=O
|
| InChIKey |
BQDFSYIONCCKAU-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM108013
Similarity: 0.8406
Similarity to MM108013
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253119
Similarity: 0.8313
Similarity to MM253119
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369626
Similarity: 0.8182
Similarity to MM369626
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.9 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
