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DocumentationIdentifier: MM358039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358039 |
| SMILES |
C#CC(F)C(O)C#CCO
|
| InChIKey |
NQZOJHUSSYORGU-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174610
Similarity: 0.8534
Similarity to MM174610
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295802
Similarity: 0.7953
Similarity to MM295802
| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.886 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358037
Similarity: 0.7769
Similarity to MM358037
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8745 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
