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DocumentationIdentifier: MM378121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378121 |
| SMILES |
CC1C(C=O)N1CC#N
|
| InChIKey |
HSOZZTMGBFKVHX-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386714
Similarity: 0.7801
Similarity to MM386714
| Tanimoto metric | 0.7801 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378582
Similarity: 0.7376
Similarity to MM378582
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.849 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375385
Similarity: 0.6468
Similarity to MM375385
| Tanimoto metric | 0.6468 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.7855 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
