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DocumentationIdentifier: MM281337
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281337 |
| SMILES |
CC#CC(C)CC#CC=O
|
| InChIKey |
LQZYTGJUCMUAOB-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
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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MM169194
Similarity: 0.9032
Similarity to MM169194
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158454
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Similarity to MM158454
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.918 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358057
Similarity: 0.8108
Similarity to MM358057
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8955 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
