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DocumentationIdentifier: MM414844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414844 |
| SMILES |
CC=C(CN)C(C)OC=O
|
| InChIKey |
YDGJMLUPTOFWLU-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70359
Similarity: 0.726
Similarity to MM70359
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174822
Similarity: 0.6918
Similarity to MM174822
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8178 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70414
Similarity: 0.6027
Similarity to MM70414
| Tanimoto metric | 0.6027 |
|---|---|
| Cosine metric | 0.7764 |
| Dice metric | 0.7521 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
