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DocumentationIdentifier: MM171780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171780 |
| SMILES |
NCCC(O)C(N)CN
|
| InChIKey |
XJBWBFYLLFWXRC-UHFFFAOYSA-N
|
| MW [Da] |
133.2
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
MM111483
Similarity: 0.8375
Similarity to MM111483
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348204
Similarity: 0.8333
Similarity to MM348204
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108048
Similarity: 0.75
Similarity to MM108048
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
