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DocumentationIdentifier: MM333394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333394 |
| SMILES |
C=C(CO)NC(CO)=NC
|
| InChIKey |
IEJJUTLNADIDNE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82425
Similarity: 0.8258
Similarity to MM82425
| Tanimoto metric | 0.8258 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9046 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143115
Similarity: 0.7803
Similarity to MM143115
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142586
Similarity: 0.7197
Similarity to MM142586
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
