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DocumentationIdentifier: MM376330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376330 |
| SMILES |
CN(C=O)CC#CC=CF
|
| InChIKey |
WMHQFUAWRAOGKG-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23701
Similarity: 0.8272
Similarity to MM23701
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376328
Similarity: 0.7363
Similarity to MM376328
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8481 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23696
Similarity: 0.642
Similarity to MM23696
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.782 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
