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DocumentationIdentifier: MM293713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293713 |
| SMILES |
C#CCN(C)C(=O)CCF
|
| InChIKey |
LTFVAUKGDOMALX-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173011
Similarity: 0.7479
Similarity to MM173011
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293809
Similarity: 0.6912
Similarity to MM293809
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8174 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45959
Similarity: 0.6891
Similarity to MM45959
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8159 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
