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DocumentationIdentifier: MM72992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72992 |
| SMILES |
C=C(CO)C(C)(C)N
|
| InChIKey |
FXGQUYFIPYZQKQ-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132093
Similarity: 0.7404
Similarity to MM132093
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65511
Similarity: 0.7013
Similarity to MM65511
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64962
Similarity: 0.6937
Similarity to MM64962
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8191 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+579 more
