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DocumentationIdentifier: MM253964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253964 |
| SMILES |
C=C(C(C)O)C(O)C(C)N
|
| InChIKey |
IPUQNZJJDPTDFH-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160353
Similarity: 0.7389
Similarity to MM160353
| Tanimoto metric | 0.7389 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8498 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297184
Similarity: 0.7176
Similarity to MM297184
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.838 |
| Dice metric | 0.8356 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133809
Similarity: 0.6561
Similarity to MM133809
| Tanimoto metric | 0.6561 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.7923 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
