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DocumentationIdentifier: MM229246
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229246 |
| SMILES |
C=C(C)CC(O)(CN)CN
|
| InChIKey |
ASIMORDCKKOTKJ-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68991
Similarity: 0.8718
Similarity to MM68991
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68994
Similarity: 0.7083
Similarity to MM68994
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8293 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68996
Similarity: 0.68
Similarity to MM68996
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8095 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
