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DocumentationIdentifier: MM259090
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259090 |
| SMILES |
COC(=O)CC=CC(F)F
|
| InChIKey |
IEJMRTKKRMHGML-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168483
Similarity: 0.8617
Similarity to MM168483
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280059
Similarity: 0.7364
Similarity to MM280059
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113624
Similarity: 0.6702
Similarity to MM113624
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8025 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
