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DocumentationIdentifier: MM357994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357994 |
| SMILES |
C#CC#CC(F)C(C)C=O
|
| InChIKey |
VJMORQZWBMUTBQ-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174595
Similarity: 0.8333
Similarity to MM174595
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357939
Similarity: 0.75
Similarity to MM357939
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8571 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357935
Similarity: 0.7054
Similarity to MM357935
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8273 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
