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DocumentationIdentifier: MM69015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69015 |
| SMILES |
CN(C=N)C(=CC#N)CO
|
| InChIKey |
SURCWHIVDSAOFW-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89523
Similarity: 0.7737
Similarity to MM89523
| Tanimoto metric | 0.7737 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8724 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70112
Similarity: 0.7226
Similarity to MM70112
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84503
Similarity: 0.6934
Similarity to MM84503
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
