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DocumentationIdentifier: MM317587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317587 |
| SMILES |
C=C(CC)OCC(O)C#N
|
| InChIKey |
RRJAFLKGKQPXQX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43743
Similarity: 0.8173
Similarity to MM43743
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73208
Similarity: 0.7107
Similarity to MM73208
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8309 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78640
Similarity: 0.6905
Similarity to MM78640
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8169 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
