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DocumentationIdentifier: MM83172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83172 |
| SMILES |
C=C(COCC)OCCO
|
| InChIKey |
GIVKLVJFAIZMNF-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45871
Similarity: 0.913
Similarity to MM45871
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69459
Similarity: 0.863
Similarity to MM69459
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9265 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291788
Similarity: 0.863
Similarity to MM291788
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9265 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+625 more
