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DocumentationIdentifier: MM388245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388245 |
| SMILES |
C=CC(C(C)C)N(C)C=O
|
| InChIKey |
WHZYBIHMLDCCAY-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160042
Similarity: 0.6724
Similarity to MM160042
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376864
Similarity: 0.6691
Similarity to MM376864
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8017 |
| Dice metric | 0.8017 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376715
Similarity: 0.6549
Similarity to MM376715
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7916 |
| Dice metric | 0.7915 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
