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DocumentationIdentifier: MM382282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382282 |
| SMILES |
C=CC1(C)NC1C(C)=O
|
| InChIKey |
PRJXYMMHGHTXAU-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385984
Similarity: 0.8992
Similarity to MM385984
| Tanimoto metric | 0.8992 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9469 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407690
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| Tanimoto metric | 0.8392 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9126 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM422039
Similarity: 0.8168
Similarity to MM422039
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
