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DocumentationIdentifier: MM373310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373310 |
| SMILES |
C=C(CO)NC=NCCO
|
| InChIKey |
DXFHTFQRCSKIAR-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
MM80637
Similarity: 0.9277
Similarity to MM80637
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259134
Similarity: 0.8105
Similarity to MM259134
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8953 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113637
Similarity: 0.7831
Similarity to MM113637
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
