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DocumentationIdentifier: MM15876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15876 |
| SMILES |
C#CCC(=O)COCCF
|
| InChIKey |
NPQXXRKBMVQPBZ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292456
Similarity: 0.7647
Similarity to MM292456
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8667 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292457
Similarity: 0.7156
Similarity to MM292457
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8342 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251020
Similarity: 0.7156
Similarity to MM251020
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8342 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
