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DocumentationIdentifier: MM91908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91908 |
| SMILES |
C#CC(=O)NCC=CC#N
|
| InChIKey |
YIDSRQWFNSHQFH-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370048
Similarity: 0.7576
Similarity to MM370048
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8621 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91907
Similarity: 0.7282
Similarity to MM91907
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8427 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36586
Similarity: 0.6923
Similarity to MM36586
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
