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DocumentationIdentifier: MM74678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74678 |
| SMILES |
C=C(C)N(C)C(=O)C=CN
|
| InChIKey |
XFCCZGIKAJJBDJ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160708
Similarity: 0.7986
Similarity to MM160708
| Tanimoto metric | 0.7986 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.888 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299498
Similarity: 0.6725
Similarity to MM299498
| Tanimoto metric | 0.6725 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8042 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50822
Similarity: 0.6389
Similarity to MM50822
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
