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DocumentationIdentifier: MM35602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35602 |
| SMILES |
CCC(=O)C(O)C#N
|
| InChIKey |
IHSGUCNBFSHKPB-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM50371
Similarity: 0.8471
Similarity to MM50371
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34553
Similarity: 0.7722
Similarity to MM34553
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8714 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173244
Similarity: 0.766
Similarity to MM173244
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
