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DocumentationIdentifier: MM168636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168636 |
| SMILES |
COC(=O)CC=CC=O
|
| InChIKey |
MICDHOCTLBIAPK-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113624
Similarity: 0.8514
Similarity to MM113624
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280175
Similarity: 0.8222
Similarity to MM280175
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49040
Similarity: 0.7831
Similarity to MM49040
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8784 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
