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DocumentationIdentifier: MM272416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272416 |
| SMILES |
CCCC(C#N)CC(N)=O
|
| InChIKey |
FQTSPTCRJLWDQG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44488
Similarity: 0.7944
Similarity to MM44488
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272521
Similarity: 0.712
Similarity to MM272521
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8318 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344389
Similarity: 0.6729
Similarity to MM344389
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8045 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
