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DocumentationIdentifier: MM377689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377689 |
| SMILES |
CCC=CC(CC=O)NC
|
| InChIKey |
JTPYZCAFPACTMU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56674
Similarity: 0.8673
Similarity to MM56674
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50192
Similarity: 0.7456
Similarity to MM50192
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8543 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273982
Similarity: 0.7414
Similarity to MM273982
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8515 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
