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DocumentationIdentifier: MM311667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311667 |
| SMILES |
CCC(F)(C#CCO)CC
|
| InChIKey |
OAEZUNPPOAHVDS-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138998
Similarity: 0.8687
Similarity to MM138998
| Tanimoto metric | 0.8687 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9297 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241450
Similarity: 0.735
Similarity to MM241450
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8473 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234377
Similarity: 0.7273
Similarity to MM234377
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8421 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+622 more
