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DocumentationIdentifier: MM383599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383599 |
| SMILES |
C#CC=C(C#C)NC=NC
|
| InChIKey |
CWPBCMUZTHAISR-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200445
Similarity: 0.8257
Similarity to MM200445
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72786
Similarity: 0.8165
Similarity to MM72786
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421176
Similarity: 0.7377
Similarity to MM421176
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8491 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
