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DocumentationIdentifier: MM355409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355409 |
| SMILES |
CNCCN(C)CCCO
|
| InChIKey |
LDUFMXRXOFUKCS-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155715
Similarity: 0.8571
Similarity to MM155715
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155720
Similarity: 0.7571
Similarity to MM155720
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8618 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291214
Similarity: 0.7317
Similarity to MM291214
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8451 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
