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DocumentationIdentifier: MM334049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334049 |
| SMILES |
C#CC(=O)NC(=CF)CN
|
| InChIKey |
NHUPOFYORRXNRL-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43426
Similarity: 0.7379
Similarity to MM43426
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150413
Similarity: 0.7379
Similarity to MM150413
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334651
Similarity: 0.6353
Similarity to MM334651
| Tanimoto metric | 0.6353 |
|---|---|
| Cosine metric | 0.7777 |
| Dice metric | 0.777 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
