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DocumentationIdentifier: MM70097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70097 |
| SMILES |
CC(C)=C(CN)COC=O
|
| InChIKey |
ACKSTFWUTBCLMK-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
MM70414
Similarity: 0.8381
Similarity to MM70414
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361809
Similarity: 0.7807
Similarity to MM361809
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8768 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70081
Similarity: 0.6929
Similarity to MM70081
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8186 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
