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DocumentationIdentifier: MM43579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43579 |
| SMILES |
CNC(=O)C=C(F)C=O
|
| InChIKey |
IJAMUJAXLICLCM-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104856
Similarity: 0.7822
Similarity to MM104856
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51114
Similarity: 0.6911
Similarity to MM51114
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8173 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136222
Similarity: 0.6639
Similarity to MM136222
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.798 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
