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DocumentationIdentifier: MM154753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154753 |
| SMILES |
C#CC=CC#CC(=C)F
|
| InChIKey |
WDZLSAHSLVAIPW-UHFFFAOYSA-N
|
| MW [Da] |
120.13
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106502
Similarity: 0.8596
Similarity to MM106502
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369658
Similarity: 0.8261
Similarity to MM369658
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458442
Similarity: 0.7627
Similarity to MM458442
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8654 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
