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DocumentationIdentifier: MM387823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387823 |
| SMILES |
CCC(C(C)C)C(N)CO
|
| InChIKey |
GGXHHQKOVQFUGG-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348097
Similarity: 0.7545
Similarity to MM348097
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8601 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196782
Similarity: 0.7473
Similarity to MM196782
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234505
Similarity: 0.687
Similarity to MM234505
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.816 |
| Dice metric | 0.8144 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
