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DocumentationIdentifier: MM58924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58924 |
| SMILES |
CC#CC(C)(F)C(=O)CO
|
| InChIKey |
BYNSEIOHDVZXAY-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41736
Similarity: 0.7706
Similarity to MM41736
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132869
Similarity: 0.7059
Similarity to MM132869
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77011
Similarity: 0.7021
Similarity to MM77011
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.825 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
