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DocumentationIdentifier: MM298575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298575 |
| SMILES |
COCC(C)(C)NC=O
|
| InChIKey |
LAKJFMFEVKQOCG-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28517
Similarity: 0.7073
Similarity to MM28517
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221809
Similarity: 0.7069
Similarity to MM221809
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243172
Similarity: 0.6308
Similarity to MM243172
| Tanimoto metric | 0.6308 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7736 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
