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DocumentationIdentifier: MM86395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86395 |
| SMILES |
O=CC(O)C(F)C#CCO
|
| InChIKey |
WBBBMJFWAMGXJD-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174597
Similarity: 0.8583
Similarity to MM174597
| Tanimoto metric | 0.8583 |
|---|---|
| Cosine metric | 0.9264 |
| Dice metric | 0.9237 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357848
Similarity: 0.8261
Similarity to MM357848
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90363
Similarity: 0.7622
Similarity to MM90363
| Tanimoto metric | 0.7622 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8651 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
