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DocumentationIdentifier: MM296039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296039 |
| SMILES |
CC(=CCO)C(O)CC#N
|
| InChIKey |
TVJZICVRLUAOBU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.2
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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MM175067
Similarity: 0.7355
Similarity to MM175067
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72314
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Similarity to MM72314
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8285 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM414677
Similarity: 0.6579
Similarity to MM414677
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7937 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
