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DocumentationIdentifier: MM174572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174572 |
| SMILES |
CC#CC(F)C(O)CO
|
| InChIKey |
GDDXNVWPXMHCKS-UHFFFAOYSA-N
|
| MW [Da] |
132.13
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
MM357540
Similarity: 0.9107
Similarity to MM357540
| Tanimoto metric | 0.9107 |
|---|---|
| Cosine metric | 0.9543 |
| Dice metric | 0.9533 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86382
Similarity: 0.8361
Similarity to MM86382
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357542
Similarity: 0.7969
Similarity to MM357542
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+727 more
