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DocumentationIdentifier: MM221992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221992 |
| SMILES |
C=CCC(C)(C)C=C(F)F
|
| InChIKey |
DQHDKRKAXYHDGI-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
3.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130899
Similarity: 0.8182
Similarity to MM130899
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136173
Similarity: 0.7662
Similarity to MM136173
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222289
Similarity: 0.7143
Similarity to MM222289
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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