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DocumentationIdentifier: MM408656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408656 |
| SMILES |
CCC#CCC(C=O)CF
|
| InChIKey |
GHIFQCQBWNQLBM-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199710
Similarity: 0.9024
Similarity to MM199710
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408668
Similarity: 0.7957
Similarity to MM408668
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8862 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409027
Similarity: 0.7789
Similarity to MM409027
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8757 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
