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DocumentationIdentifier: MM232015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232015 |
| SMILES |
COCC(C#N)C(C)(C)F
|
| InChIKey |
SHRKDLNEBDJHCL-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40152
Similarity: 0.7674
Similarity to MM40152
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60434
Similarity: 0.625
Similarity to MM60434
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7693 |
| Dice metric | 0.7692 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376473
Similarity: 0.6049
Similarity to MM376473
| Tanimoto metric | 0.6049 |
|---|---|
| Cosine metric | 0.7539 |
| Dice metric | 0.7538 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
