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DocumentationIdentifier: MM370216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370216 |
| SMILES |
C=CCCOC=C(F)C=O
|
| InChIKey |
HVTZHBOYLSLUHL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171173
Similarity: 0.8925
Similarity to MM171173
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370271
Similarity: 0.7685
Similarity to MM370271
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8691 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93774
Similarity: 0.7615
Similarity to MM93774
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8646 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
