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DocumentationIdentifier: MM84853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84853 |
| SMILES |
CCCNC(=O)C(C)OC
|
| InChIKey |
OYKQQJZAXCGGHJ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350203
Similarity: 0.8209
Similarity to MM350203
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9016 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84883
Similarity: 0.7535
Similarity to MM84883
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8594 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350201
Similarity: 0.7483
Similarity to MM350201
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.856 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
