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DocumentationIdentifier: MM71395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71395 |
| SMILES |
CC(=CC#N)OC=CC=O
|
| InChIKey |
ZKLDBYQCPKKWOA-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284037
Similarity: 0.78
Similarity to MM284037
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8764 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169000
Similarity: 0.7528
Similarity to MM169000
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284036
Similarity: 0.6961
Similarity to MM284036
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8208 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
