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DocumentationIdentifier: MM301044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301044 |
| SMILES |
CC(C)=C(F)C(=O)CCF
|
| InChIKey |
OHTBFNZXRKEAJI-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161612
Similarity: 0.8231
Similarity to MM161612
| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.903 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301086
Similarity: 0.7671
Similarity to MM301086
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8682 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254326
Similarity: 0.6968
Similarity to MM254326
| Tanimoto metric | 0.6968 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8213 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
