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DocumentationIdentifier: MM283984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283984 |
| SMILES |
CCC=COC(C)=CC#N
|
| InChIKey |
VAEANYVDEZUCIW-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283922
Similarity: 0.7604
Similarity to MM283922
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8639 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284036
Similarity: 0.7423
Similarity to MM284036
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8521 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168954
Similarity: 0.7412
Similarity to MM168954
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
