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DocumentationIdentifier: MM113705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113705 |
| SMILES |
C=C(C=O)CC=CC
|
| InChIKey |
NSTKESSINHPNAW-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168742
Similarity: 0.871
Similarity to MM168742
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168811
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Similarity to MM168811
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168809
Similarity: 0.8182
Similarity to MM168809
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
