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DocumentationIdentifier: MM301289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301289 |
| SMILES |
C=CCOCC(C)N(C)C
|
| InChIKey |
PBRBJFVZLKBVBE-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162011
Similarity: 0.814
Similarity to MM162011
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71702
Similarity: 0.7527
Similarity to MM71702
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8589 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254538
Similarity: 0.7
Similarity to MM254538
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8235 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
