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DocumentationIdentifier: MM305510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305510 |
| SMILES |
C#CC#CCC(=O)C(C)F
|
| InChIKey |
BXARPAARSFIAHZ-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163094
Similarity: 0.8571
Similarity to MM163094
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73760
Similarity: 0.7258
Similarity to MM73760
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8411 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169270
Similarity: 0.6952
Similarity to MM169270
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8338 |
| Dice metric | 0.8202 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
