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DocumentationIdentifier: MM361911
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361911 |
| SMILES |
CCNCC(O)C(O)CN
|
| InChIKey |
NLQXVCDYFZAQII-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161973
Similarity: 0.8817
Similarity to MM161973
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300989
Similarity: 0.8542
Similarity to MM300989
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9213 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300993
Similarity: 0.8119
Similarity to MM300993
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8962 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
