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DocumentationIdentifier: MM357072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357072 |
| SMILES |
CC=CCC(=O)NC=CC
|
| InChIKey |
RSQUTHJAMNCITR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156946
Similarity: 0.8646
Similarity to MM156946
| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156929
Similarity: 0.8542
Similarity to MM156929
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280322
Similarity: 0.7905
Similarity to MM280322
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.883 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+514 more
