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DocumentationIdentifier: MM262689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262689 |
| SMILES |
CCNC(=O)CC(C)C#N
|
| InChIKey |
WOOWRDKPPRGOOB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80123
Similarity: 0.7627
Similarity to MM80123
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8654 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23733
Similarity: 0.7165
Similarity to MM23733
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8349 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307254
Similarity: 0.7037
Similarity to MM307254
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
