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DocumentationIdentifier: MM178945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178945 |
| SMILES |
CCC(=COC)CC#N
|
| InChIKey |
VBPJODNGYCEVQE-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75310
Similarity: 0.9467
Similarity to MM75310
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385643
Similarity: 0.8256
Similarity to MM385643
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107879
Similarity: 0.8169
Similarity to MM107879
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
