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DocumentationIdentifier: MM351217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351217 |
| SMILES |
C=C(OCC=O)C(C)C=O
|
| InChIKey |
NHVVCESAEXRWJL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173279
Similarity: 0.8654
Similarity to MM173279
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351213
Similarity: 0.7438
Similarity to MM351213
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351221
Similarity: 0.7339
Similarity to MM351221
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8465 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
