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DocumentationIdentifier: MM239968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239968 |
| SMILES |
CC=CCCC(C)(F)CC
|
| InChIKey |
IUFHAXSSHHZPFP-UHFFFAOYSA-N
|
| MW [Da] |
144.23
Automatically obtained from RDkit software. |
| LogP |
3.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138203
Similarity: 0.814
Similarity to MM138203
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131606
Similarity: 0.7558
Similarity to MM131606
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239969
Similarity: 0.7129
Similarity to MM239969
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8324 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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