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DocumentationIdentifier: MM331306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331306 |
| SMILES |
CC(=CF)OC(C#N)C#N
|
| InChIKey |
UMICEOCVGFSBRY-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM227353
Similarity: 0.736
Similarity to MM227353
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8479 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15793
Similarity: 0.7255
Similarity to MM15793
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80371
Similarity: 0.7077
Similarity to MM80371
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8288 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
