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DocumentationIdentifier: MM296649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296649 |
| SMILES |
CC(CC=O)C(C)C(F)F
|
| InChIKey |
BHJSWDQROFHMNC-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159895
Similarity: 0.7273
Similarity to MM159895
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306677
Similarity: 0.7129
Similarity to MM306677
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8324 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135114
Similarity: 0.7045
Similarity to MM135114
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
