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DocumentationIdentifier: MM415425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415425 |
| SMILES |
C#CC(=NC)NCCC=C
|
| InChIKey |
ZIRSLBJUNCLVQC-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78882
Similarity: 0.7417
Similarity to MM78882
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415550
Similarity: 0.7417
Similarity to MM415550
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342220
Similarity: 0.7177
Similarity to MM342220
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8357 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
