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DocumentationIdentifier: MM387368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387368 |
| SMILES |
CC=CC(C#N)=COCC
|
| InChIKey |
AERJBNDEEYLFNS-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201872
Similarity: 0.7864
Similarity to MM201872
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440304
Similarity: 0.7043
Similarity to MM440304
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8265 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439929
Similarity: 0.6983
Similarity to MM439929
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8223 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
