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DocumentationIdentifier: MM279773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279773 |
| SMILES |
CN(CC=CCN)CCO
|
| InChIKey |
BXFLCFJZRCAZNU-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156737
Similarity: 0.8986
Similarity to MM156737
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279772
Similarity: 0.747
Similarity to MM279772
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8552 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279849
Similarity: 0.7294
Similarity to MM279849
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8435 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
