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DocumentationIdentifier: MM152071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152071 |
| SMILES |
CC1CN1C(C)(C)C=O
|
| InChIKey |
ABCDNKBHJUNLIM-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM277284
Similarity: 0.8467
Similarity to MM277284
| Tanimoto metric | 0.8467 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426895
Similarity: 0.7845
Similarity to MM426895
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420759
Similarity: 0.7174
Similarity to MM420759
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8354 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
