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DocumentationIdentifier: MM339905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339905 |
| SMILES |
CCC(O)C=CC(C)C#N
|
| InChIKey |
GIILUWIFQPEXAT-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145442
Similarity: 0.8
Similarity to MM145442
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81800
Similarity: 0.7423
Similarity to MM81800
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8521 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374048
Similarity: 0.7327
Similarity to MM374048
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8457 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+711 more
