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DocumentationIdentifier: MM380213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380213 |
| SMILES |
C#CC(C#CC=C)NC=N
|
| InChIKey |
KKXHXIYXBCLKAM-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55134
Similarity: 0.766
Similarity to MM55134
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282986
Similarity: 0.729
Similarity to MM282986
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8432 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380239
Similarity: 0.6789
Similarity to MM380239
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8087 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
