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DocumentationIdentifier: MM361749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361749 |
| SMILES |
CC(CO)=C(C)OCCO
|
| InChIKey |
BAGNUZWAFZIBCO-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175789
Similarity: 0.8654
Similarity to MM175789
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87116
Similarity: 0.7698
Similarity to MM87116
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.87 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361745
Similarity: 0.7563
Similarity to MM361745
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8612 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
