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DocumentationIdentifier: MM67587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67587 |
| SMILES |
CC(F)=CN(C=O)CC=O
|
| InChIKey |
YOPVNITYJUZLCH-UHFFFAOYSA-N
|
| MW [Da] |
145.13
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
MM150669
Similarity: 0.784
Similarity to MM150669
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178278
Similarity: 0.688
Similarity to MM178278
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274031
Similarity: 0.6803
Similarity to MM274031
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8097 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
