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DocumentationIdentifier: MM302658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302658 |
| SMILES |
C=C(C)C(=C)COCCO
|
| InChIKey |
ITYSUERZLJSQBM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162621
Similarity: 0.8367
Similarity to MM162621
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302655
Similarity: 0.8039
Similarity to MM302655
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8913 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302656
Similarity: 0.713
Similarity to MM302656
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8325 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
