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DocumentationIdentifier: MM295100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295100 |
| SMILES |
C=CCC(=C)C(=O)C=CN
|
| InChIKey |
UXQNRRGYGRJFOI-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173840
Similarity: 0.7273
Similarity to MM173840
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23905
Similarity: 0.7068
Similarity to MM23905
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8282 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295106
Similarity: 0.7068
Similarity to MM295106
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8282 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
