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DocumentationIdentifier: MM133514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133514 |
| SMILES |
CC(C)OC(C)C(C)N
|
| InChIKey |
XLEHQLGCTLZEIW-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244713
Similarity: 0.8977
Similarity to MM244713
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244714
Similarity: 0.8977
Similarity to MM244714
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108086
Similarity: 0.8481
Similarity to MM108086
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
