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DocumentationIdentifier: MM68996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68996 |
| SMILES |
CC=C(C)CC(C)(O)CN
|
| InChIKey |
MEUACSCAXMULMQ-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: 0.7556
Similarity to MM68991
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142888
Similarity: 0.6963
Similarity to MM142888
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.821 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229246
Similarity: 0.68
Similarity to MM229246
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8095 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
