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DocumentationIdentifier: MM267759
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267759 |
| SMILES |
COC(=O)C=C(C)OC=O
|
| InChIKey |
BHHSAELVEUKWBX-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143709
Similarity: 0.8103
Similarity to MM143709
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267678
Similarity: 0.7037
Similarity to MM267678
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8261 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49590
Similarity: 0.6293
Similarity to MM49590
| Tanimoto metric | 0.6293 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7725 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
