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DocumentationIdentifier: MM319760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319760 |
| SMILES |
C#CC(F)C(C)(CO)CO
|
| InChIKey |
AMLAVDNFHZRJLN-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196915
Similarity: 0.7453
Similarity to MM196915
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111605
Similarity: 0.6509
Similarity to MM111605
| Tanimoto metric | 0.6509 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.7886 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320134
Similarity: 0.6122
Similarity to MM320134
| Tanimoto metric | 0.6122 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7595 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
