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DocumentationIdentifier: MM437367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437367 |
| SMILES |
CCC(C=O)N1CC1(C)C
|
| InChIKey |
RFQOXTVSLPDHQW-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420759
Similarity: 0.7563
Similarity to MM420759
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8612 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421892
Similarity: 0.733
Similarity to MM421892
| Tanimoto metric | 0.733 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8459 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314453
Similarity: 0.7262
Similarity to MM314453
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8414 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
