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DocumentationIdentifier: MM407591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407591 |
| SMILES |
CC(=O)CN1CC1(C)C#N
|
| InChIKey |
VPPHAMUVBITETI-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353403
Similarity: 0.7824
Similarity to MM353403
| Tanimoto metric | 0.7824 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8779 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177137
Similarity: 0.7306
Similarity to MM177137
| Tanimoto metric | 0.7306 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8443 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346282
Similarity: 0.7115
Similarity to MM346282
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8315 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
