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DocumentationIdentifier: MM379132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379132 |
| SMILES |
CC=CC(CO)N(C)CC
|
| InChIKey |
UQDCTAYSTQUOOK-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196969
Similarity: 0.7632
Similarity to MM196969
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178157
Similarity: 0.7105
Similarity to MM178157
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395223
Similarity: 0.6589
Similarity to MM395223
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7961 |
| Dice metric | 0.7944 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
