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DocumentationIdentifier: MM68994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68994 |
| SMILES |
C=C(CC)CC(C)(O)CN
|
| InChIKey |
IHASIRSEUJNNBM-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
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: 0.7907
Similarity to MM68991
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229246
Similarity: 0.7083
Similarity to MM229246
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8293 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68755
Similarity: 0.6879
Similarity to MM68755
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8151 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
