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DocumentationIdentifier: MM233752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233752 |
| SMILES |
CNCCC(C)(N)CNC
|
| InChIKey |
UMDDEXPNOOSMGS-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138112
Similarity: 0.8242
Similarity to MM138112
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94131
Similarity: 0.6593
Similarity to MM94131
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.7947 |
| MW: | 116.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171811
Similarity: 0.6535
Similarity to MM171811
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7904 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
