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DocumentationIdentifier: MM66360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66360 |
| SMILES |
CC(C)NC(=O)C(C)C=O
|
| InChIKey |
VVDDSUIMITWCOE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50332
Similarity: 0.83
Similarity to MM50332
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84945
Similarity: 0.7477
Similarity to MM84945
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8557 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299514
Similarity: 0.74
Similarity to MM299514
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
