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DocumentationIdentifier: MM89140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89140 |
| SMILES |
C#CCN(C=O)C=CC=O
|
| InChIKey |
CUHXGNQMVXVFCV-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51411
Similarity: 0.8137
Similarity to MM51411
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378380
Similarity: 0.7288
Similarity to MM378380
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8431 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89146
Similarity: 0.7155
Similarity to MM89146
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8342 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
