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DocumentationIdentifier: MM415327
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415327 |
| SMILES |
C#CCN1CC1C(C)=O
|
| InChIKey |
UXCICASNYKXGTP-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM429264
Similarity: 0.7837
Similarity to MM429264
| Tanimoto metric | 0.7837 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403078
Similarity: 0.773
Similarity to MM403078
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379308
Similarity: 0.6442
Similarity to MM379308
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.7836 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
