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DocumentationIdentifier: MM235642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235642 |
| SMILES |
C#CC#CC(C)(F)C(C)=O
|
| InChIKey |
QOOJALMVMVMEKD-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132869
Similarity: 0.8163
Similarity to MM132869
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235598
Similarity: 0.7101
Similarity to MM235598
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8304 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59449
Similarity: 0.678
Similarity to MM59449
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
