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DocumentationIdentifier: MM379495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379495 |
| SMILES |
CC#CCN1CC1C=O
|
| InChIKey |
HISFLQFDOWNREG-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
MM379852
Similarity: 0.9185
Similarity to MM379852
| Tanimoto metric | 0.9185 |
|---|---|
| Cosine metric | 0.9584 |
| Dice metric | 0.9575 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379308
Similarity: 0.8468
Similarity to MM379308
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378389
Similarity: 0.7425
Similarity to MM378389
| Tanimoto metric | 0.7425 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8522 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
