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DocumentationIdentifier: MM70495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70495 |
| SMILES |
C=CNC(=N)C#CCO
|
| InChIKey |
YCINOMQEKSWBIL-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282870
Similarity: 0.86
Similarity to MM282870
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66576
Similarity: 0.835
Similarity to MM66576
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82713
Similarity: 0.7674
Similarity to MM82713
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
