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DocumentationIdentifier: MM444758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444758 |
| SMILES |
C=CC(C)(O)CC(C)(C)C
|
| InChIKey |
UXDFJAICKKWZBZ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM418379
Similarity: 0.8444
Similarity to MM418379
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412177
Similarity: 0.7308
Similarity to MM412177
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8444 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM429298
Similarity: 0.7308
Similarity to MM429298
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8444 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+663 more
