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DocumentationIdentifier: MM74242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74242 |
| SMILES |
CC#CC(NC=N)C(C)N
|
| InChIKey |
JCBAFYZQWORGCR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178359
Similarity: 0.6615
Similarity to MM178359
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7963 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379718
Similarity: 0.6594
Similarity to MM379718
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.7948 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379708
Similarity: 0.6338
Similarity to MM379708
| Tanimoto metric | 0.6338 |
|---|---|
| Cosine metric | 0.7816 |
| Dice metric | 0.7759 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
