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DocumentationIdentifier: MM231551
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231551 |
| SMILES |
COC=CC(F)C(C)(C)C
|
| InChIKey |
QNCJTEDQCVNQFO-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305803
Similarity: 0.7624
Similarity to MM305803
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8652 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114006
Similarity: 0.6667
Similarity to MM114006
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355158
Similarity: 0.6581
Similarity to MM355158
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7959 |
| Dice metric | 0.7938 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
