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DocumentationIdentifier: MM328746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328746 |
| SMILES |
C=C(CC)OC(CN)CO
|
| InChIKey |
ZOSZBPRZMRRRGE-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142073
Similarity: 0.725
Similarity to MM142073
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328747
Similarity: 0.6835
Similarity to MM328747
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.812 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328749
Similarity: 0.6763
Similarity to MM328749
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8069 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
