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DocumentationIdentifier: MM301027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301027 |
| SMILES |
CC(N)C(O)COCCO
|
| InChIKey |
GJBRZQPURWSXNP-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161984
Similarity: 0.8969
Similarity to MM161984
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254515
Similarity: 0.7909
Similarity to MM254515
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301227
Similarity: 0.7632
Similarity to MM301227
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8662 |
| Dice metric | 0.8657 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
