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DocumentationIdentifier: MM02355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02355 |
| SMILES |
CC(=O)CC(F)C=O
|
| InChIKey |
NKVXTSWKJIBBGZ-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02399
Similarity: 0.7324
Similarity to MM02399
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8455 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97164
Similarity: 0.7213
Similarity to MM97164
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104292
Similarity: 0.6857
Similarity to MM104292
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.8136 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
