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DocumentationIdentifier: MM01716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01716 |
| SMILES |
COC=COC(C)(C)CO
|
| InChIKey |
AGCMSTWGXCUILE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48957
Similarity: 0.7662
Similarity to MM48957
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372409
Similarity: 0.7468
Similarity to MM372409
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8551 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-ethenoxy-2-methylpropan-1-ol
Similarity: 0.7143
Similarity to 2-ethenoxy-2-methylpropan-1-ol
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
