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DocumentationIdentifier: MM241795
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241795 |
| SMILES |
CC(O)(CO)C(N)CCO
|
| InChIKey |
ORZNBKWEWSFJQE-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67380
Similarity: 0.8462
Similarity to MM67380
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241794
Similarity: 0.679
Similarity to MM241794
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8088 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223640
Similarity: 0.6667
Similarity to MM223640
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.8 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
