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DocumentationIdentifier: MM280169
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280169 |
| SMILES |
CNCC(=O)CC=CC=O
|
| InChIKey |
RMRSAXPAPBJLRS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156829
Similarity: 0.8837
Similarity to MM156829
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280168
Similarity: 0.7677
Similarity to MM280168
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8686 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38817
Similarity: 0.76
Similarity to MM38817
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8636 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
