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DocumentationIdentifier: MM300062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300062 |
| SMILES |
CC#CC(=O)C(F)C(C)C
|
| InChIKey |
XNKJNSHOMNSCGI-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
MM160471
Similarity: 0.792
Similarity to MM160471
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358756
Similarity: 0.7372
Similarity to MM358756
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8487 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358851
Similarity: 0.7183
Similarity to MM358851
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8361 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
