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DocumentationIdentifier: MM221078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221078 |
| SMILES |
CCCC(N)CC(C)(C)O
|
| InChIKey |
OEISWBOUESIGRQ-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129973
Similarity: 0.8817
Similarity to MM129973
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223070
Similarity: 0.8632
Similarity to MM223070
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9266 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221079
Similarity: 0.8515
Similarity to MM221079
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9198 |
| Dice metric | 0.9198 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
