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DocumentationIdentifier: MM367792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367792 |
| SMILES |
CC(CO)NCC=CCN
|
| InChIKey |
VVNDDXVPTXPIEV-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167223
Similarity: 0.9104
Similarity to MM167223
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42474
Similarity: 0.8133
Similarity to MM42474
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.8972 |
| Dice metric | 0.8971 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368045
Similarity: 0.7625
Similarity to MM368045
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8652 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
