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DocumentationIdentifier: MM417584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417584 |
| SMILES |
CC#CCCC(=NC)NC
|
| InChIKey |
HAFPFSFCKXGCOU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200037
Similarity: 0.8627
Similarity to MM200037
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167693
Similarity: 0.7353
Similarity to MM167693
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370699
Similarity: 0.6944
Similarity to MM370699
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8197 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
