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DocumentationIdentifier: MM317978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317978 |
| SMILES |
C=CC(=C)CCC(F)C=O
|
| InChIKey |
KPJYIZAAUDQOOR-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144426
Similarity: 0.802
Similarity to MM144426
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317413
Similarity: 0.7257
Similarity to MM317413
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.841 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144719
Similarity: 0.7129
Similarity to MM144719
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8324 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
