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DocumentationIdentifier: MM237763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237763 |
| SMILES |
C=CC#CC(=O)CC(C)F
|
| InChIKey |
ZVQMQJDLQYYCPK-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135930
Similarity: 0.8053
Similarity to MM135930
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237746
Similarity: 0.7521
Similarity to MM237746
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8585 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237747
Similarity: 0.7222
Similarity to MM237747
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8387 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
