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DocumentationIdentifier: MM313593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313593 |
| SMILES |
COC(C)(C)C=CC(N)=O
|
| InChIKey |
GGBSEOZEOWCLGQ-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
MM251121
Similarity: 0.7647
Similarity to MM251121
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297284
Similarity: 0.6739
Similarity to MM297284
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8052 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343815
Similarity: 0.6327
Similarity to MM343815
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.775 |
| Dice metric | 0.775 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
