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DocumentationIdentifier: MM387167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387167 |
| SMILES |
CCOCC(C#N)NC=N
|
| InChIKey |
SYEOIOYURXERLT-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177986
Similarity: 0.8333
Similarity to MM177986
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387327
Similarity: 0.6977
Similarity to MM387327
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8219 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387329
Similarity: 0.687
Similarity to MM387329
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8147 |
| Dice metric | 0.8145 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
