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DocumentationIdentifier: MM37972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37972 |
| SMILES |
COC(=CF)CC=O
|
| InChIKey |
GTBWAVOPJGEELK-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27625
Similarity: 0.7222
Similarity to MM27625
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150392
Similarity: 0.6792
Similarity to MM150392
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.809 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98077
Similarity: 0.6528
Similarity to MM98077
| Tanimoto metric | 0.6528 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.7899 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
