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DocumentationIdentifier: MM349739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349739 |
| SMILES |
C=CCCC(C)C(=C)C=O
|
| InChIKey |
GYCMEQPQBZCJLA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172684
Similarity: 0.8632
Similarity to MM172684
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349741
Similarity: 0.781
Similarity to MM349741
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.877 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317931
Similarity: 0.7426
Similarity to MM317931
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8523 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
