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DocumentationIdentifier: MM87826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87826 |
| SMILES |
N#CCCC(C#N)NC=O
|
| InChIKey |
GHXJHCAKJMXTIL-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51278
Similarity: 0.875
Similarity to MM51278
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87879
Similarity: 0.7059
Similarity to MM87879
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8276 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37586
Similarity: 0.6771
Similarity to MM37586
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
