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DocumentationIdentifier: MM316544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316544 |
| SMILES |
NCC(=O)NCC(O)CN
|
| InChIKey |
UQRFDEUJRHRWDF-UHFFFAOYSA-N
|
| MW [Da] |
147.18
Automatically obtained from RDkit software. |
| LogP |
-2.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM144292
Similarity: 0.7925
Similarity to MM144292
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166449
Similarity: 0.6321
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| Tanimoto metric | 0.6321 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7746 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340537
Similarity: 0.6316
Similarity to MM340537
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7744 |
| Dice metric | 0.7742 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
