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DocumentationIdentifier: MM280409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280409 |
| SMILES |
C=CCC(=C)CC=CC=O
|
| InChIKey |
MAIWLZISJOVULJ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168615
Similarity: 0.9118
Similarity to MM168615
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280412
Similarity: 0.7381
Similarity to MM280412
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8493 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419038
Similarity: 0.7381
Similarity to MM419038
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8493 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
