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DocumentationIdentifier: MM456887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456887 |
| SMILES |
O=CC(C=O)=CCN1CC1
|
| InChIKey |
XRTKZJGXWBUSAG-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209724
Similarity: 0.914
Similarity to MM209724
| Tanimoto metric | 0.914 |
|---|---|
| Cosine metric | 0.956 |
| Dice metric | 0.9551 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251740
Similarity: 0.7131
Similarity to MM251740
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8325 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456783
Similarity: 0.7049
Similarity to MM456783
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8269 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
