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DocumentationIdentifier: MM02399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02399 |
| SMILES |
CC(=O)C(F)CC=O
|
| InChIKey |
OAYQHZZQGJKTSZ-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
MM98490
Similarity: 0.7419
Similarity to MM98490
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02355
Similarity: 0.7324
Similarity to MM02355
| 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
|
MM108182
Similarity: 0.7042
Similarity to MM108182
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8264 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
