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DocumentationIdentifier: MM390131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390131 |
| SMILES |
CCCN=C(CC#N)NC
|
| InChIKey |
NXQWKWXARGBOPQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178563
Similarity: 0.8704
Similarity to MM178563
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412425
Similarity: 0.7931
Similarity to MM412425
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8846 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199796
Similarity: 0.7685
Similarity to MM199796
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8691 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
