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DocumentationIdentifier: MM357542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357542 |
| SMILES |
NCC#CC(F)C(O)CO
|
| InChIKey |
RHWFYSLSLFDSMD-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174572
Similarity: 0.7969
Similarity to MM174572
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46599
Similarity: 0.7656
Similarity to MM46599
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357540
Similarity: 0.7391
Similarity to MM357540
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.85 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
