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DocumentationIdentifier: MM15999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15999 |
| SMILES |
N#CCC(=O)OC=CC=O
|
| InChIKey |
UQZYCGJWTOOWSA-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156995
Similarity: 0.86
Similarity to MM156995
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280379
Similarity: 0.8073
Similarity to MM280379
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8934 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280507
Similarity: 0.7288
Similarity to MM280507
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8431 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
