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DocumentationIdentifier: MM167693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167693 |
| SMILES |
CC#CCCC(=N)NC
|
| InChIKey |
LVPZXNAAYLFUEX-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370699
Similarity: 0.9259
Similarity to MM370699
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370701
Similarity: 0.8929
Similarity to MM370701
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370991
Similarity: 0.8721
Similarity to MM370991
| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
