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DocumentationIdentifier: MM70359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70359 |
| SMILES |
C=C(CN)C(C)OC=O
|
| InChIKey |
XCNKQOYXVWJWEQ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM414844
Similarity: 0.726
Similarity to MM414844
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378938
Similarity: 0.6928
Similarity to MM378938
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8185 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108284
Similarity: 0.6887
Similarity to MM108284
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8156 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
