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DocumentationIdentifier: MM291881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291881 |
| SMILES |
C=COCCC(=C)CCN
|
| InChIKey |
BOKAQGMXUHXHFE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291740
Similarity: 0.7684
Similarity to MM291740
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.869 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166611
Similarity: 0.7647
Similarity to MM166611
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338156
Similarity: 0.7143
Similarity to MM338156
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8333 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
