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DocumentationIdentifier: MM340475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340475 |
| SMILES |
CC(=N)NCC(CN)CO
|
| InChIKey |
MAKGZVFRVXGWEX-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144271
Similarity: 0.7778
Similarity to MM144271
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198649
Similarity: 0.697
Similarity to MM198649
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340473
Similarity: 0.6863
Similarity to MM340473
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.814 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
