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DocumentationIdentifier: MM24003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24003 |
| SMILES |
CCC(C#N)N(C)C=O
|
| InChIKey |
ORASFVKYSIFEAU-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23642
Similarity: 0.8034
Similarity to MM23642
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376868
Similarity: 0.7642
Similarity to MM376868
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376719
Similarity: 0.7581
Similarity to MM376719
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
