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DocumentationIdentifier: MM340391
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340391 |
| SMILES |
CCC(CC)CCC(=N)N
|
| InChIKey |
GXJVBWIBAITXAI-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144223
Similarity: 0.9429
Similarity to MM144223
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250604
Similarity: 0.8571
Similarity to MM250604
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9231 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254543
Similarity: 0.8148
Similarity to MM254543
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.898 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
