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DocumentationIdentifier: MM226892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226892 |
| SMILES |
C=CC(=C)OC(C)(C)CN
|
| InChIKey |
UENSHROOTWBTKU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142154
Similarity: 0.7928
Similarity to MM142154
| Tanimoto metric | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130796
Similarity: 0.7658
Similarity to MM130796
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229304
Similarity: 0.6825
Similarity to MM229304
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8113 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
