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DocumentationIdentifier: MM316530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316530 |
| SMILES |
CCC(=N)NCC(O)CO
|
| InChIKey |
GZKBSIRTYMKABL-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.68
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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MM144289
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Similarity to MM144289
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144636
Similarity: 0.7925
Similarity to MM144636
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316534
Similarity: 0.7377
Similarity to MM316534
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8491 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+563 more
