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DocumentationIdentifier: MM304507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304507 |
| SMILES |
C#CCC(=CCN)NC=N
|
| InChIKey |
ULVJEVALGIDUGU-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178654
Similarity: 0.7951
Similarity to MM178654
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178952
Similarity: 0.7541
Similarity to MM178952
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304542
Similarity: 0.7
Similarity to MM304542
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8235 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
