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DocumentationIdentifier: MM338856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338856 |
| SMILES |
C=C(C#N)C=C(C#N)CO
|
| InChIKey |
ATVGLRRDNMUXMT-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM338681
Similarity: 0.776
Similarity to MM338681
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8739 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143793
Similarity: 0.7568
Similarity to MM143793
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81335
Similarity: 0.6942
Similarity to MM81335
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8195 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
