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DocumentationIdentifier: MM197959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197959 |
| SMILES |
C=CC(=CC)C(O)C#N
|
| InChIKey |
IFOLHQHBQJBRDX-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86507
Similarity: 0.8321
Similarity to MM86507
| Tanimoto metric | 0.8321 |
|---|---|
| Cosine metric | 0.9122 |
| Dice metric | 0.9084 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86505
Similarity: 0.7703
Similarity to MM86505
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35689
Similarity: 0.693
Similarity to MM35689
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
