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DocumentationIdentifier: MM228140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228140 |
| SMILES |
C=C(C)CCC(C)(F)C=O
|
| InChIKey |
XHACPKFLONMCIN-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138409
Similarity: 0.7373
Similarity to MM138409
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239714
Similarity: 0.7031
Similarity to MM239714
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8257 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144426
Similarity: 0.6864
Similarity to MM144426
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8141 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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