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DocumentationIdentifier: MM253104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253104 |
| SMILES |
CCC=C(C)C#CC(=N)N
|
| InChIKey |
RFZBICUHXFWZOK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253149
Similarity: 0.7377
Similarity to MM253149
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8491 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345466
Similarity: 0.7121
Similarity to MM345466
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8319 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253125
Similarity: 0.7054
Similarity to MM253125
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8273 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
