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DocumentationIdentifier: MM339450
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339450 |
| SMILES |
CC=C(C)C=C(C=O)CC
|
| InChIKey |
SXIGDXCHLCGCDD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151013
Similarity: 0.8218
Similarity to MM151013
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248295
Similarity: 0.75
Similarity to MM248295
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267174
Similarity: 0.75
Similarity to MM267174
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
