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DocumentationIdentifier: MM440410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440410 |
| SMILES |
CC(=O)CCNC(C)C#N
|
| InChIKey |
AUPHVVRTUVXGGA-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
MM440049
Similarity: 0.7586
Similarity to MM440049
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347146
Similarity: 0.7471
Similarity to MM347146
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41687
Similarity: 0.7053
Similarity to MM41687
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8272 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
