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DocumentationIdentifier: MM129962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129962 |
| SMILES |
CCC(N)CC(C)(C)N
|
| InChIKey |
UUEKBKGQBYLFEF-UHFFFAOYSA-N
|
| MW [Da] |
130.24
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221071
Similarity: 0.8481
Similarity to MM221071
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222480
Similarity: 0.8171
Similarity to MM222480
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87401
Similarity: 0.7975
Similarity to MM87401
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8873 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
