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DocumentationIdentifier: MM253320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253320 |
| SMILES |
C=CCC(=O)OC=C(C)F
|
| InChIKey |
JWBDLYUNGFVVAH-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156993
Similarity: 0.7304
Similarity to MM156993
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253321
Similarity: 0.7293
Similarity to MM253321
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8435 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253322
Similarity: 0.6978
Similarity to MM253322
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.822 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
