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DocumentationIdentifier: MM91034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91034 |
| SMILES |
CNCCC(C)(C)NC=O
|
| InChIKey |
HMYWTVBMZMUWCD-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132381
Similarity: 0.8409
Similarity to MM132381
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80896
Similarity: 0.6842
Similarity to MM80896
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8125 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72178
Similarity: 0.6607
Similarity to MM72178
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7957 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
