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DocumentationIdentifier: MM171156
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171156 |
| SMILES |
CCOCC=C(F)C#N
|
| InChIKey |
KYKBMXPTODRWCO-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370192
Similarity: 0.8851
Similarity to MM370192
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370085
Similarity: 0.8851
Similarity to MM370085
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114772
Similarity: 0.8442
Similarity to MM114772
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
