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DocumentationIdentifier: MM199012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199012 |
| SMILES |
N#CCOC(C#N)CO
|
| InChIKey |
NPIVBTDXWDJEAD-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79736
Similarity: 0.9067
Similarity to MM79736
| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37558
Similarity: 0.8529
Similarity to MM37558
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198869
Similarity: 0.8378
Similarity to MM198869
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9118 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
