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DocumentationIdentifier: MM76920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76920 |
| SMILES |
CCNCCC(=O)CC#N
|
| InChIKey |
HFYMWBBFHKLCSH-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292262
Similarity: 0.7813
Similarity to MM292262
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8772 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364495
Similarity: 0.7529
Similarity to MM364495
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8661 |
| Dice metric | 0.8591 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33775
Similarity: 0.7526
Similarity to MM33775
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8588 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
