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DocumentationIdentifier: MM386042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386042 |
| SMILES |
CNCC=C(C=O)COC
|
| InChIKey |
VVOREMOKZGOZJF-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201708
Similarity: 0.7685
Similarity to MM201708
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8691 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73687
Similarity: 0.6759
Similarity to MM73687
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8066 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284622
Similarity: 0.6379
Similarity to MM284622
| Tanimoto metric | 0.6379 |
|---|---|
| Cosine metric | 0.7863 |
| Dice metric | 0.7789 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
