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DocumentationIdentifier: MM304202
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304202 |
| SMILES |
COCC(=CC#N)NC=N
|
| InChIKey |
JCSJYTBGZBVMCS-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70112
Similarity: 0.7984
Similarity to MM70112
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178542
Similarity: 0.7742
Similarity to MM178542
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304086
Similarity: 0.6621
Similarity to MM304086
| Tanimoto metric | 0.6621 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7967 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
