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DocumentationIdentifier: MM380037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380037 |
| SMILES |
C#CC(=O)N(C=C)C=CF
|
| InChIKey |
FWPBXJKSZGECDC-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50785
Similarity: 0.8443
Similarity to MM50785
| Tanimoto metric | 0.8443 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9156 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180205
Similarity: 0.7295
Similarity to MM180205
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35748
Similarity: 0.623
Similarity to MM35748
| Tanimoto metric | 0.623 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7677 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
