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DocumentationIdentifier: MM50785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50785 |
| SMILES |
C#CC(=O)N(C)C=CF
|
| InChIKey |
VSAZZOZTAVOAKR-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380037
Similarity: 0.8443
Similarity to MM380037
| Tanimoto metric | 0.8443 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9156 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35748
Similarity: 0.7379
Similarity to MM35748
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34726
Similarity: 0.699
Similarity to MM34726
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
