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DocumentationIdentifier: MM129807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129807 |
| SMILES |
CC(C)C(N)C(C)(C)C
|
| InChIKey |
CTSRUQUENZEWOY-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102512
Similarity: 0.88
Similarity to MM102512
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87633
Similarity: 0.72
Similarity to MM87633
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131968
Similarity: 0.6875
Similarity to MM131968
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8148 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
