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DocumentationIdentifier: MM351441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351441 |
| SMILES |
C#CCCC(=N)N(C)C=C
|
| InChIKey |
FGLBPKMULHUURF-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173304
Similarity: 0.8333
Similarity to MM173304
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350888
Similarity: 0.7364
Similarity to MM350888
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351245
Similarity: 0.7197
Similarity to MM351245
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.837 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
