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DocumentationIdentifier: MM223620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223620 |
| SMILES |
CC(CO)C(O)C(C)(C)N
|
| InChIKey |
BMTKDWUCMSISRN-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225435
Similarity: 0.8
Similarity to MM225435
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131979
Similarity: 0.7563
Similarity to MM131979
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8612 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348183
Similarity: 0.7279
Similarity to MM348183
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8426 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
