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DocumentationIdentifier: MM137554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137554 |
| SMILES |
CNC(C)(C)C(C)C=O
|
| InChIKey |
ITKSJSCXWITTGJ-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61520
Similarity: 0.8788
Similarity to MM61520
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233242
Similarity: 0.8056
Similarity to MM233242
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234597
Similarity: 0.7838
Similarity to MM234597
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
