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DocumentationIdentifier: MM64575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64575 |
| SMILES |
NC(=O)C#CC=C(F)C=O
|
| InChIKey |
FLKYBNKOBQRTPP-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133442
Similarity: 0.8173
Similarity to MM133442
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171693
Similarity: 0.7212
Similarity to MM171693
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261094
Similarity: 0.7025
Similarity to MM261094
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8252 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
