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DocumentationIdentifier: MM15812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15812 |
| SMILES |
COC=C(C#N)CC(C)=O
|
| InChIKey |
QIXWRKOLDUFDCA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136040
Similarity: 0.6797
Similarity to MM136040
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8093 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273790
Similarity: 0.5633
Similarity to MM273790
| Tanimoto metric | 0.5633 |
|---|---|
| Cosine metric | 0.7211 |
| Dice metric | 0.7206 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15823
Similarity: 0.5438
Similarity to MM15823
| Tanimoto metric | 0.5438 |
|---|---|
| Cosine metric | 0.7049 |
| Dice metric | 0.7045 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
