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DocumentationIdentifier: MM295116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295116 |
| SMILES |
C=CCC(=O)C(=C)C=CF
|
| InChIKey |
RWBSIXSOHFCCNL-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174484
Similarity: 0.8584
Similarity to MM174484
| Tanimoto metric | 0.8584 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9238 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354106
Similarity: 0.8559
Similarity to MM354106
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9224 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270213
Similarity: 0.7424
Similarity to MM270213
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8522 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
